Daily Papers

An important recurring pattern in scientific breakthroughs is a two-stage process: an initial phase of undirected experimentation that yields an unexpected finding, followed by a retrospective phase that explains why the finding works and situates it within existing theory. We present ResearchEVO, an end-to-end framework that computationally instantiates this discover-then-explain paradigm. The Evolution Phase employs LLM-guided bi-dimensional co-evolution -- simultaneously optimizing both algorithmic logic and overall architecture -- to search the space of code implementations purely by fitness, without requiring any understanding of the solutions it produces. The Writing Phase then takes the best-performing algorithm and autonomously generates a complete, publication-ready research paper through sentence-level retrieval-augmented generation with explicit anti-hallucination verification and automated experiment design. To our knowledge, ResearchEVO is the first system to cover this full pipeline end to end: no prior work jointly performs principled algorithm evolution and literature-grounded scientific documentation. We validate the framework on two cross-disciplinary scientific problems -- Quantum Error Correction using real Google quantum hardware data, and Physics-Informed Neural Networks -- where the Evolution Phase discovered human-interpretable algorithmic mechanisms that had not been previously proposed in the respective domain literatures. In both cases, the Writing Phase autonomously produced compilable LaTeX manuscripts that correctly grounded these blind discoveries in existing theory via RAG, with zero fabricated citations.

Visual Simultaneous Localization and Mapping (VSLAM) research faces significant challenges due to fragmented toolchains, complex system configurations, and inconsistent evaluation methodologies. To address these issues, we present VSLAM-LAB, a unified framework designed to streamline the development, evaluation, and deployment of VSLAM systems. VSLAM-LAB simplifies the entire workflow by enabling seamless compilation and configuration of VSLAM algorithms, automated dataset downloading and preprocessing, and standardized experiment design, execution, and evaluation--all accessible through a single command-line interface. The framework supports a wide range of VSLAM systems and datasets, offering broad compatibility and extendability while promoting reproducibility through consistent evaluation metrics and analysis tools. By reducing implementation complexity and minimizing configuration overhead, VSLAM-LAB empowers researchers to focus on advancing VSLAM methodologies and accelerates progress toward scalable, real-world solutions. We demonstrate the ease with which user-relevant benchmarks can be created: here, we introduce difficulty-level-based categories, but one could envision environment-specific or condition-specific categories.

The integration of artificial intelligence into journalistic practices represents a transformative shift in how news is gathered, analyzed, and disseminated. Large language models (LLMs), particularly those with agentic capabilities, offer unprecedented opportunities for enhancing journalistic workflows while simultaneously presenting complex challenges for newsroom integration. This research explores how agentic LLMs can support journalists' workflows, based on insights from journalist interviews and from the development of an LLM-based automation tool performing information filtering, summarization, and reporting. The paper details automated aggregation and summarization systems for journalists, presents a technical overview and evaluation of a user-centric LLM-driven reporting system (TeleFlash), and discusses both addressed and unmet journalist needs, with an outlook on future directions for AI-driven tools in journalism.

Understanding the world and explaining it with scientific theories is a central aspiration of artificial intelligence research. Proposing theories, designing experiments to test them, and then revising them based on data are fundamental to scientific discovery. Despite the significant promise of LLM-based scientific agents, no benchmarks systematically test LLM's ability to propose scientific models, collect experimental data, and revise them in light of new data. We introduce BoxingGym, a benchmark with 10 environments for systematically evaluating both experimental design (e.g. collecting data to test a scientific theory) and model discovery (e.g. proposing and revising scientific theories). To enable tractable and quantitative evaluation, we implement each environment as a generative probabilistic model with which a scientific agent can run interactive experiments. These probabilistic models are drawn from various real-world scientific domains ranging from psychology to ecology. To quantitatively evaluate a scientific agent's ability to collect informative experimental data, we compute the expected information gain (EIG), an information-theoretic quantity which measures how much an experiment reduces uncertainty about the parameters of a generative model. A good scientific theory is a concise and predictive explanation. Therefore, to quantitatively evaluate model discovery, we ask a scientific agent to explain their model and then assess whether this explanation enables another scientific agent to make reliable predictions about this environment. In addition to this explanation-based evaluation, we compute standard model evaluation metrics such as prediction errors. We find that current LLMs, such as GPT-4o, struggle with both experimental design and model discovery. We find that augmenting the LLM-based agent with an explicit statistical model does not reliably improve these results.

Effectively configuring scalable large language model (LLM) experiments, spanning architecture design, hyperparameter tuning, and beyond, is crucial for advancing LLM research, as poor configuration choices can waste substantial computational resources and prevent models from realizing their full potential. Prior automated methods are designed for low-cost settings where repeated trial and error is feasible, but scalable LLM experiments are too expensive for such extensive iteration. To our knowledge, no work has addressed the automation of high-cost LLM experiment configurations, leaving this problem labor-intensive and dependent on expert intuition. Motivated by this gap, we propose AutoLLMResearch, an agentic framework that mimics how human researchers learn generalizable principles from low-fidelity experiments and extrapolate to efficiently identify promising configurations in expensive LLM settings. The core challenge is how to enable an agent to learn, through interaction with a multi-fidelity experimental environment that captures the structure of the LLM configuration landscape. To achieve this, we propose a systematic framework with two key components: 1) LLMConfig-Gym, a multi-fidelity environment encompassing four critical LLM experiment tasks, supported by over one million GPU hours of verifiable experiment outcomes; 2) A structured training pipeline that formulates configuration research as a long-horizon Markov Decision Process and accordingly incentivizes cross-fidelity extrapolation reasoning. Extensive evaluation against diverse strong baselines on held-out experiments demonstrates the effectiveness, generalization, and interpretability of our framework, supporting its potential as a practical and general solution for scalable real-world LLM experiment automation.

Virtual cell modeling represents an emerging frontier at the intersection of artificial intelligence and biology, aiming to predict quantities such as responses to diverse perturbations quantitatively. However, autonomously building computational models for virtual cells is challenging due to the complexity of biological systems, the heterogeneity of data modalities, and the need for domain-specific expertise across multiple disciplines. Here, we introduce CellForge, an agentic system that leverages a multi-agent framework that transforms presented biological datasets and research objectives directly into optimized computational models for virtual cells. More specifically, given only raw single-cell multi-omics data and task descriptions as input, CellForge outputs both an optimized model architecture and executable code for training virtual cell models and inference. The framework integrates three core modules: Task Analysis for presented dataset characterization and relevant literature retrieval, Method Design, where specialized agents collaboratively develop optimized modeling strategies, and Experiment Execution for automated generation of code. The agents in the Design module are separated into experts with differing perspectives and a central moderator, and have to collaboratively exchange solutions until they achieve a reasonable consensus. We demonstrate CellForge's capabilities in single-cell perturbation prediction, using six diverse datasets that encompass gene knockouts, drug treatments, and cytokine stimulations across multiple modalities. CellForge consistently outperforms task-specific state-of-the-art methods. Overall, CellForge demonstrates how iterative interaction between LLM agents with differing perspectives provides better solutions than directly addressing a modeling challenge. Our code is publicly available at https://github.com/gersteinlab/CellForge.

Scientific experimentation, a cornerstone of human progress, demands rigor in reliability, methodical control, and interpretability to yield meaningful results. Despite the growing capabilities of large language models (LLMs) in automating different aspects of the scientific process, automating rigorous experimentation remains a significant challenge. To address this gap, we propose Curie, an AI agent framework designed to embed rigor into the experimentation process through three key components: an intra-agent rigor module to enhance reliability, an inter-agent rigor module to maintain methodical control, and an experiment knowledge module to enhance interpretability. To evaluate Curie, we design a novel experimental benchmark composed of 46 questions across four computer science domains, derived from influential research papers, and widely adopted open-source projects. Compared to the strongest baseline tested, we achieve a 3.4times improvement in correctly answering experimental questions.Curie is open-sourced at https://github.com/Just-Curieous/Curie.

Advances in generative artificial intelligence are transforming how metal-organic frameworks (MOFs) are designed and discovered. This Perspective introduces the shift from laborious enumeration of MOF candidates to generative approaches that can autonomously propose and synthesize in the laboratory new porous reticular structures on demand. We outline the progress of employing deep learning models, such as variational autoencoders, diffusion models, and large language model-based agents, that are fueled by the growing amount of available data from the MOF community and suggest novel crystalline materials designs. These generative tools can be combined with high-throughput computational screening and even automated experiments to form accelerated, closed-loop discovery pipelines. The result is a new paradigm for reticular chemistry in which AI algorithms more efficiently direct the search for high-performance MOF materials for clean air and energy applications. Finally, we highlight remaining challenges such as synthetic feasibility, dataset diversity, and the need for further integration of domain knowledge.

As scientific research becomes increasingly complex, innovative tools are needed to manage vast data, facilitate interdisciplinary collaboration, and accelerate discovery. Large language models (LLMs) are now evolving into LLM-based scientific agents that automate critical tasks, ranging from hypothesis generation and experiment design to data analysis and simulation. Unlike general-purpose LLMs, these specialized agents integrate domain-specific knowledge, advanced tool sets, and robust validation mechanisms, enabling them to handle complex data types, ensure reproducibility, and drive scientific breakthroughs. This survey provides a focused review of the architectures, design, benchmarks, applications, and ethical considerations surrounding LLM-based scientific agents. We highlight why they differ from general agents and the ways in which they advance research across various scientific fields. By examining their development and challenges, this survey offers a comprehensive roadmap for researchers and practitioners to harness these agents for more efficient, reliable, and ethically sound scientific discovery.

The introduction of genome engineering technology has transformed biomedical research, making it possible to make precise changes to genetic information. However, creating an efficient gene-editing system requires a deep understanding of CRISPR technology, and the complex experimental systems under investigation. While Large Language Models (LLMs) have shown promise in various tasks, they often lack specific knowledge and struggle to accurately solve biological design problems. In this work, we introduce CRISPR-GPT, an LLM agent augmented with domain knowledge and external tools to automate and enhance the design process of CRISPR-based gene-editing experiments. CRISPR-GPT leverages the reasoning ability of LLMs to facilitate the process of selecting CRISPR systems, designing guide RNAs, recommending cellular delivery methods, drafting protocols, and designing validation experiments to confirm editing outcomes. We showcase the potential of CRISPR-GPT for assisting non-expert researchers with gene-editing experiments from scratch and validate the agent's effectiveness in a real-world use case. Furthermore, we explore the ethical and regulatory considerations associated with automated gene-editing design, highlighting the need for responsible and transparent use of these tools. Our work aims to bridge the gap between beginner biological researchers and CRISPR genome engineering techniques, and demonstrate the potential of LLM agents in facilitating complex biological discovery tasks.

Researchers are investing substantial effort in developing powerful general-purpose agents, wherein Foundation Models are used as modules within agentic systems (e.g. Chain-of-Thought, Self-Reflection, Toolformer). However, the history of machine learning teaches us that hand-designed solutions are eventually replaced by learned solutions. We formulate a new research area, Automated Design of Agentic Systems (ADAS), which aims to automatically create powerful agentic system designs, including inventing novel building blocks and/or combining them in new ways. We further demonstrate that there is an unexplored yet promising approach within ADAS where agents can be defined in code and new agents can be automatically discovered by a meta agent programming ever better ones in code. Given that programming languages are Turing Complete, this approach theoretically enables the learning of any possible agentic system: including novel prompts, tool use, control flows, and combinations thereof. We present a simple yet effective algorithm named Meta Agent Search to demonstrate this idea, where a meta agent iteratively programs interesting new agents based on an ever-growing archive of previous discoveries. Through extensive experiments across multiple domains including coding, science, and math, we show that our algorithm can progressively invent agents with novel designs that greatly outperform state-of-the-art hand-designed agents. Importantly, we consistently observe the surprising result that agents invented by Meta Agent Search maintain superior performance even when transferred across domains and models, demonstrating their robustness and generality. Provided we develop it safely, our work illustrates the potential of an exciting new research direction toward automatically designing ever-more powerful agentic systems to benefit humanity.

Quantum algorithms based on variational approaches are one of the most promising methods to construct quantum solutions and have found a myriad of applications in the last few years. Despite the adaptability and simplicity, their scalability and the selection of suitable ans\"atzs remain key challenges. In this work, we report an algorithmic framework based on nested Monte-Carlo Tree Search (MCTS) coupled with the combinatorial multi-armed bandit (CMAB) model for the automated design of quantum circuits. Through numerical experiments, we demonstrated our algorithm applied to various kinds of problems, including the ground energy problem in quantum chemistry, quantum optimisation on a graph, solving systems of linear equations, and finding encoding circuit for quantum error detection codes. Compared to the existing approaches, the results indicate that our circuit design algorithm can explore larger search spaces and optimise quantum circuits for larger systems, showing both versatility and scalability.

Graphic design is a creative and innovative process that plays a crucial role in applications such as e-commerce and advertising. However, developing an automated design system that can faithfully translate user intentions into editable design files remains an open challenge. Although recent studies have leveraged powerful text-to-image models and MLLMs to assist graphic design, they typically simplify professional workflows, resulting in limited flexibility and intuitiveness. To address these limitations, we propose PSDesigner, an automated graphic design system that emulates the creative workflow of human designers. Building upon multiple specialized components, PSDesigner collects theme-related assets based on user instructions, and autonomously infers and executes tool calls to manipulate design files, such as integrating new assets or refining inferior elements. To endow the system with strong tool-use capabilities, we construct a design dataset, CreativePSD, which contains a large amount of high-quality PSD design files annotated with operation traces across a wide range of design scenarios and artistic styles, enabling models to learn expert design procedures. Extensive experiments demonstrate that PSDesigner outperforms existing methods across diverse graphic design tasks, empowering non-specialists to conveniently create production-quality designs.

The automatic synthesis of analog circuits presents significant challenges. Most existing approaches formulate the problem as a single-objective optimization task, overlooking that design specifications for a given circuit type vary widely across applications. To address this, we introduce specification-conditioned analog circuit generation, a task that directly generates analog circuits based on target specifications. The motivation is to leverage existing well-designed circuits to improve automation in analog circuit design. Specifically, we propose CktGen, a simple yet effective variational autoencoder that maps discretized specifications and circuits into a joint latent space and reconstructs the circuit from that latent vector. Notably, as a single specification may correspond to multiple valid circuits, naively fusing specification information into the generative model does not capture these one-to-many relationships. To address this, we decouple the encoding of circuits and specifications and align their mapped latent space. Then, we employ contrastive training with a filter mask to maximize differences between encoded circuits and specifications. Furthermore, classifier guidance along with latent feature alignment promotes the clustering of circuits sharing the same specification, avoiding model collapse into trivial one-to-one mappings. By canonicalizing the latent space with respect to specifications, we can search for an optimal circuit that meets valid target specifications. We conduct comprehensive experiments on the open circuit benchmark and introduce metrics to evaluate cross-model consistency. Experimental results demonstrate that CktGen achieves substantial improvements over state-of-the-art methods.

Many reinforcement learning environments (e.g., Minecraft) provide only sparse rewards that indicate task completion or failure with binary values. The challenge in exploration efficiency in such environments makes it difficult for reinforcement-learning-based agents to learn complex tasks. To address this, this paper introduces an advanced learning system, named Auto MC-Reward, that leverages Large Language Models (LLMs) to automatically design dense reward functions, thereby enhancing the learning efficiency. Auto MC-Reward consists of three important components: Reward Designer, Reward Critic, and Trajectory Analyzer. Given the environment information and task descriptions, the Reward Designer first design the reward function by coding an executable Python function with predefined observation inputs. Then, our Reward Critic will be responsible for verifying the code, checking whether the code is self-consistent and free of syntax and semantic errors. Further, the Trajectory Analyzer summarizes possible failure causes and provides refinement suggestions according to collected trajectories. In the next round, Reward Designer will further refine and iterate the dense reward function based on feedback. Experiments demonstrate a significant improvement in the success rate and learning efficiency of our agents in complex tasks in Minecraft, such as obtaining diamond with the efficient ability to avoid lava, and efficiently explore trees and animals that are sparse in the plains biome.

Large Language Models (LLMs) have enabled automated heuristic design (AHD) for combinatorial optimization problems (COPs), but existing frameworks' reliance on fixed evolutionary rules and static prompt templates often leads to myopic heuristic generation, redundant evaluations, and limited reasoning about how new heuristics should be derived. We propose a novel multi-agent reasoning framework, referred to as Planning through World Model for Automated Heuristic Design via Self-Evolving LLMs (PathWise), which formulates heuristic generation as a sequential decision process over an entailment graph serving as a compact, stateful memory of the search trajectory. This approach allows the system to carry forward past decisions and reuse or avoid derivation information across generations. A policy agent plans evolutionary actions, a world model agent generates heuristic rollouts conditioned on those actions, and critic agents provide routed reflections summarizing lessons from prior steps, shifting LLM-based AHD from trial-and-error evolution toward state-aware planning through reasoning. Experiments across diverse COPs show that PathWise converges faster to better heuristics, generalizes across different LLM backbones, and scales to larger problem sizes.

Although Large Language Models have advanced Automated Heuristic Design, treating algorithm evolution as a monolithic text generation task overlooks the coupling between discrete algorithmic structures and continuous numerical parameters. Consequently, existing methods often discard promising algorithms due to uncalibrated constants and suffer from premature convergence resulting from simple similarity metrics. To address these limitations, we propose TIDE, a Tuning-Integrated Dynamic Evolution framework designed to decouple structural reasoning from parameter optimization. TIDE features a nested architecture where an outer parallel island model utilizes Tree Similarity Edit Distance to drive structural diversity, while an inner loop integrates LLM-based logic generation with a differential mutation operator for parameter tuning. Additionally, a UCB-based scheduler dynamically prioritizes high-yield prompt strategies to optimize resource allocation. Extensive experiments across nine combinatorial optimization problems demonstrate that TIDE discovers heuristics that significantly outperform state-of-the-art baselines in solution quality while achieving improved search efficiency and reduced computational costs.

Automated neural network architecture design remains a significant challenge in computer vision. Task diversity and computational constraints require both effective architectures and efficient search methods. Large Language Models (LLMs) present a promising alternative to computationally intensive Neural Architecture Search (NAS), but their application to architecture generation in computer vision has not been systematically studied, particularly regarding prompt engineering and validation strategies. Building on the task-agnostic NNGPT/LEMUR framework, this work introduces and validates two key contributions for computer vision. First, we present Few-Shot Architecture Prompting (FSAP), the first systematic study of the number of supporting examples (n = 1, 2, 3, 4, 5, 6) for LLM-based architecture generation. We find that using n = 3 examples best balances architectural diversity and context focus for vision tasks. Second, we introduce Whitespace-Normalized Hash Validation, a lightweight deduplication method (less than 1 ms) that provides a 100x speedup over AST parsing and prevents redundant training of duplicate computer vision architectures. In large-scale experiments across seven computer vision benchmarks (MNIST, CIFAR-10, CIFAR-100, CelebA, ImageNette, SVHN, Places365), we generated 1,900 unique architectures. We also introduce a dataset-balanced evaluation methodology to address the challenge of comparing architectures across heterogeneous vision tasks. These contributions provide actionable guidelines for LLM-based architecture search in computer vision and establish rigorous evaluation practices, making automated design more accessible to researchers with limited computational resources.

AI-driven content creation has shown potential in film production. However, existing film generation systems struggle to implement cinematic principles and thus fail to generate professional-quality films, particularly lacking diverse camera language and cinematic rhythm. This results in templated visuals and unengaging narratives. To address this, we introduce FilMaster, an end-to-end AI system that integrates real-world cinematic principles for professional-grade film generation, yielding editable, industry-standard outputs. FilMaster is built on two key principles: (1) learning cinematography from extensive real-world film data and (2) emulating professional, audience-centric post-production workflows. Inspired by these principles, FilMaster incorporates two stages: a Reference-Guided Generation Stage which transforms user input to video clips, and a Generative Post-Production Stage which transforms raw footage into audiovisual outputs by orchestrating visual and auditory elements for cinematic rhythm. Our generation stage highlights a Multi-shot Synergized RAG Camera Language Design module to guide the AI in generating professional camera language by retrieving reference clips from a vast corpus of 440,000 film clips. Our post-production stage emulates professional workflows by designing an Audience-Centric Cinematic Rhythm Control module, including Rough Cut and Fine Cut processes informed by simulated audience feedback, for effective integration of audiovisual elements to achieve engaging content. The system is empowered by generative AI models like (M)LLMs and video generation models. Furthermore, we introduce FilmEval, a comprehensive benchmark for evaluating AI-generated films. Extensive experiments show FilMaster's superior performance in camera language design and cinematic rhythm control, advancing generative AI in professional filmmaking.

High-quality instruction-tuning data is critical to improving LLM capabilities. Existing data collection methods are limited by unrealistic manual labeling costs or by the hallucination of relying solely on LLM generation. To address the problems, this paper presents a scalable method to automatically collect high-quality instructional adaptation data by training language models to automatically design tasks based on human-written texts. Intuitively, human-written text helps to help the model attenuate illusions during the generation of tasks. Unlike instruction back-translation-based methods that directly take the given text as a response, we require the model to generate the instruction, input, and output simultaneously to filter the noise. The results of the automated and manual evaluation experiments demonstrate the quality of our dataset.

Large Language Models (LLMs) have demonstrated effectiveness in code generation tasks. To enable LLMs to address more complex coding challenges, existing research has focused on crafting multi-agent systems with agentic workflows, where complex coding tasks are decomposed into sub-tasks, assigned to specialized agents. Despite their effectiveness, current approaches heavily rely on hand-crafted agentic workflows, with both agent topologies and prompts manually designed, which limits their ability to automatically adapt to different types of coding problems. To address these limitations and enable automated workflow design, we propose Self-Evolving Workflow (SEW), a novel self-evolving framework that automatically generates and optimises multi-agent workflows. Extensive experiments on three coding benchmark datasets, including the challenging LiveCodeBench, demonstrate that our SEW can automatically design agentic workflows and optimise them through self-evolution, bringing up to 33\% improvement on LiveCodeBench compared to using the backbone LLM only. Furthermore, by investigating different representation schemes of workflow, we provide insights into the optimal way to encode workflow information with text.

AI is increasingly playing a pivotal role in transforming how scientific discoveries are made. We introduce The AI Scientist-v2, an end-to-end agentic system capable of producing the first entirely AI generated peer-review-accepted workshop paper. This system iteratively formulates scientific hypotheses, designs and executes experiments, analyzes and visualizes data, and autonomously authors scientific manuscripts. Compared to its predecessor (v1, Lu et al., 2024 arXiv:2408.06292), The AI Scientist-v2 eliminates the reliance on human-authored code templates, generalizes effectively across diverse machine learning domains, and leverages a novel progressive agentic tree-search methodology managed by a dedicated experiment manager agent. Additionally, we enhance the AI reviewer component by integrating a Vision-Language Model (VLM) feedback loop for iterative refinement of content and aesthetics of the figures. We evaluated The AI Scientist-v2 by submitting three fully autonomous manuscripts to a peer-reviewed ICLR workshop. Notably, one manuscript achieved high enough scores to exceed the average human acceptance threshold, marking the first instance of a fully AI-generated paper successfully navigating a peer review. This accomplishment highlights the growing capability of AI in conducting all aspects of scientific research. We anticipate that further advancements in autonomous scientific discovery technologies will profoundly impact human knowledge generation, enabling unprecedented scalability in research productivity and significantly accelerating scientific breakthroughs, greatly benefiting society at large. We have open-sourced the code at https://github.com/SakanaAI/AI-Scientist-v2 to foster the future development of this transformative technology. We also discuss the role of AI in science, including AI safety.

The remarkable capabilities of the Segment Anything Model (SAM) for tackling image segmentation tasks in an intuitive and interactive manner has sparked interest in the design of effective visual prompts. Such interest has led to the creation of automated point prompt selection strategies, typically motivated from a feature extraction perspective. However, there is still very little understanding of how appropriate these automated visual prompting strategies are, particularly when compared to humans, across diverse image domains. Additionally, the performance benefits of including such automated visual prompting strategies within the finetuning process of SAM also remains unexplored, as does the effect of interpretable factors like distance between the prompt points on segmentation performance. To bridge these gaps, we leverage a recently released visual prompting dataset, PointPrompt, and introduce a number of benchmarking tasks that provide an array of opportunities to improve the understanding of the way human prompts differ from automated ones and what underlying factors make for effective visual prompts. We demonstrate that the resulting segmentation scores obtained by humans are approximately 29% higher than those given by automated strategies and identify potential features that are indicative of prompting performance with R^2 scores over 0.5. Additionally, we demonstrate that performance when using automated methods can be improved by up to 68% via a finetuning approach. Overall, our experiments not only showcase the existing gap between human prompts and automated methods, but also highlight potential avenues through which this gap can be leveraged to improve effective visual prompt design. Further details along with the dataset links and codes are available at https://github.com/olivesgatech/PointPrompt

Automatically generating 3D games in commercial game engines remains a non-trivial challenge, as it involves complex engine-related workflows for generating assets such as scenes, blueprints, and code. To address this challenge, we propose a novel multi-agent system, AutoUE, which coordinates multiple agents to end-to-end generate 3D games, covering model retrieval, scene generation, gameplay and interaction code synthesis, and automated game testing for evaluation. In order to mitigate tool-use hallucinations in LLMs, we introduce a retrieval-augmented generation mechanism that grounds agents with relevant UE tool documentation. Additionally, we incorporate game design patterns and engine constraints into the code generation process to ensure the generation of correct and robust code. Furthermore, we design an automated play-testing pipeline that generates and executes runtime test commands, enabling systematic evaluation of dynamic behaviors. Finally, we construct a game generation dataset and conduct a series of experiments that demonstrate AutoUE's ability to generate 3D games end-to-end, and validate the effectiveness of these designs.

Engineering design optimization seeks to automatically determine the shapes, topologies, or parameters of components that maximize performance under given conditions. This process often depends on physics-based simulations, which are difficult to install, computationally expensive, and require domain-specific expertise. To mitigate these challenges, we introduce EngiBench, the first open-source library and datasets spanning diverse domains for data-driven engineering design. EngiBench provides a unified API and a curated set of benchmarks -- covering aeronautics, heat conduction, photonics, and more -- that enable fair, reproducible comparisons of optimization and machine learning algorithms, such as generative or surrogate models. We also release EngiOpt, a companion library offering a collection of such algorithms compatible with the EngiBench interface. Both libraries are modular, letting users plug in novel algorithms or problems, automate end-to-end experiment workflows, and leverage built-in utilities for visualization, dataset generation, feasibility checks, and performance analysis. We demonstrate their versatility through experiments comparing state-of-the-art techniques across multiple engineering design problems, an undertaking that was previously prohibitively time-consuming to perform. Finally, we show that these problems pose significant challenges for standard machine learning methods due to highly sensitive and constrained design manifolds.

Automated code generation can be a powerful technique for software development, significantly reducing developers' efforts and time required to create new code by generating it automatically based on requirements. Recently, OpenAI's language model ChatGPT has emerged as a powerful tool for generating human-like responses to a wide range of textual inputs (i.e., prompts), including those related to code generation. However, the effectiveness of ChatGPT for code generation is not well understood, and the generation performance could be heavily influenced by the choice of prompt. To answer these questions, we conducted experiments using the CodeXGlue dataset to evaluate ChatGPT's capabilities for two code generation tasks, including text-to-code and code-to-code generation. We designed prompts by leveraging the chain-of-thought strategy with multi-step optimizations. Our results showed that by carefully designing prompts to guide ChatGPT, the generation performance can be improved substantially. We also analyzed the factors that influenced the prompt design and provided insights that could guide future research.

Science journalism refers to the task of reporting technical findings of a scientific paper as a less technical news article to the general public audience. We aim to design an automated system to support this real-world task (i.e., automatic science journalism) by 1) introducing a newly-constructed and real-world dataset (SciTechNews), with tuples of a publicly-available scientific paper, its corresponding news article, and an expert-written short summary snippet; 2) proposing a novel technical framework that integrates a paper's discourse structure with its metadata to guide generation; and, 3) demonstrating with extensive automatic and human experiments that our framework outperforms other baseline methods (e.g. Alpaca and ChatGPT) in elaborating a content plan meaningful for the target audience, simplifying the information selected, and producing a coherent final report in a layman's style.

Large Language Model agents are reshaping the industrial landscape. However, most practical agents remain human-designed because tasks differ widely, making them labor-intensive to build. This situation poses a central question: can we automatically create and adapt domain agents in the wild? While several recent approaches have sought to automate agent creation, they typically treat agent generation as a black-box procedure and rely solely on final performance metrics to guide the process. Such strategies overlook critical evidence explaining why an agent succeeds or fails, and often require high computational costs. To address these limitations, we propose ReCreate, an experience-driven framework for the automatic creation of domain agents. ReCreate systematically leverages agent interaction histories, which provide rich concrete signals on both the causes of success or failure and the avenues for improvement. Specifically, we introduce an agent-as-optimizer paradigm that effectively learns from experience via three key components: (i) an experience storage and retrieval mechanism for on-demand inspection; (ii) a reasoning-creating synergy pipeline that maps execution experience into scaffold edits; and (iii) hierarchical updates that abstract instance-level details into reusable domain patterns. In experiments across diverse domains, ReCreate consistently outperforms human-designed agents and existing automated agent generation methods, even when starting from minimal seed scaffolds.

Alloy discovery is central to advancing modern industry but remains hindered by the vastness of compositional design space and the costly validation. Here, we present AutoMAT, a hierarchical and autonomous framework grounded in and validated by experiments, which integrates large language models, automated CALPHAD-based simulations, and AI-driven search to accelerate alloy design. Spanning the entire pipeline from ideation to validation, AutoMAT achieves high efficiency, accuracy, and interpretability without the need for manually curated large datasets. In a case study targeting a lightweight, high-strength alloy, AutoMAT identifies a titanium alloy with 8.1% lower density and comparable yield strength relative to the state-of-the-art reference, achieving the highest specific strength among all comparisons. In a second case targeting high-yield-strength high-entropy alloys, AutoMAT achieves a 28.2% improvement in yield strength over the base alloy. In both cases, AutoMAT reduces the discovery timeline from years to weeks, illustrating its potential as a scalable and versatile platform for next-generation alloy design.

Autonomous research systems increasingly make the scientific workflow executable: agents can propose ideas, run code, inspect results, and draft papers. But executable workflows do not by themselves produce research judgment. We analyze where current systems lose trial experience: weak evidence becomes prose, pilot signals become broad claims, memory remains textual, and recurring process failures do not change later behavior. We introduce Sibyl-AutoResearch, a self-evolving AutoResearch framework built around Scientific Trial-and-Error Harnesses. A harness lets agents run bounded trials, preserve positive and negative outcomes, and route lessons into later planning, validation, claim scope, scheduling, critique, writing, and harness repair. We formalize this through two auditable conversion units: trial-to-behavior conversion, which links trial signals to later research actions, and trial-to-harness-behavior conversion, which links recurring process failures to system updates. We implement the framework in SIBYL, a file-backed autonomous research system that exposes the state, roles, memory, gates, and artifact traces needed to inspect these conversion paths. A retrospective audit identifies eight high-confidence conversion events, with a median latency of one iteration and a maximum latency of three iterations. A recovered-failure registry further shows how five naturally occurring failure classes, including duplicate results, stale numbers, and unsupported statistics, were blocked, downgraded, or routed into later repair. These traces do not establish a comparative performance claim; they show that the proposed conversion units are recoverable from realistic autonomous-research workspaces. The SIBYL framework and system are available at https://github.com/Sibyl-Research-Team/AutoResearch-SibylSystem.

Scientific research is being reshaped by AI systems that move beyond isolated assistance toward longer-horizon workflows spanning literature grounding, hypothesis generation, experimentation, validation, reporting, and revision. This shift marks a transition from task-level AI for science to workflow-level research automation. Yet current systems remain fragmented, differing in autonomy, domain scope, execution environment, validation mechanism, and human oversight, while still struggling with evidence preservation, reproducibility, weak-direction rejection, provenance tracking, cross-domain robustness, and accountable scientific closure. This survey examines these developments through AutoResearch, defined as the developmental spectrum of AI-powered scientific workflow automation. Within it, Vibe Research denotes the human-steered region of prompt-based assistance and human-verified execution, whereas emerging AI-led systems coordinate larger portions of the discovery loop without achieving robust autonomy. We analyze how research systems redistribute control, evidence, execution, validation, and accountability across workflows and organize the field around five workflow conditions: literature and research grounding; hypothesis formation and planning; experimentation and tool use; feedback, validation, and review; and reporting and knowledge communication. We further synthesize AI scientist systems, mixed-initiative co-research frameworks, benchmarks, domain deployments, and open-source infrastructures. Finally, we propose five evaluation dimensions--novelty, validity, impact, reliability, and provenance--and show that AutoResearch autonomy is domain-conditioned, being more credible in structured, executable, and rapidly verifiable settings but limited in embodied, delayed, heterogeneous, ethical, or institutionally accountable contexts.

Automating scientific discovery requires more than generating papers from ideas. Real research is iterative: hypotheses are challenged from multiple perspectives, experiments fail and inform the next attempt, and lessons accumulate across cycles. Existing autonomous research systems often model this process as a linear pipeline: they rely on single-agent reasoning, stop when execution fails, and do not carry experience across runs. We present AutoResearchClaw, a multi-agent autonomous research pipeline built on five mechanisms: structured multi-agent debate for hypothesis generation and result analysis, a self-healing executor with a Pivot/Refine decision loop that transforms failures into information, verifiable result reporting that prevents fabricated numbers and hallucinated citations, human-in-the-loop collaboration with seven intervention modes spanning full autonomy to step-by-step oversight, and cross-run evolution that converts past mistakes into future safeguards. On ARC-Bench, a 25-topic experiment-stage benchmark, AutoResearchClaw outperforms AI Scientist v2 by 54.7%. A human-in-the-loop ablation across seven intervention modes reveals that precise, targeted collaboration at high-leverage decision points consistently outperforms both full autonomy and exhaustive step-by-step oversight. We position AutoResearchClaw as a research amplifier that augments rather than replaces human scientific judgment. Code is available at https://github.com/aiming-lab/AutoResearchClaw.

Artificial intelligence research increasingly depends on prolonged cycles of reproduction, debugging, and iterative refinement to achieve State-Of-The-Art (SOTA) performance, creating a growing need for systems that can accelerate the full pipeline of empirical model optimization. In this work, we introduce AutoSOTA, an end-to-end automated research system that advances the latest SOTA models published in top-tier AI papers to reproducible and empirically improved new SOTA models. We formulate this problem through three tightly coupled stages: resource preparation and goal setting; experiment evaluation; and reflection and ideation. To tackle this problem, AutoSOTA adopts a multi-agent architecture with eight specialized agents that collaboratively ground papers to code and dependencies, initialize and repair execution environments, track long-horizon experiments, generate and schedule optimization ideas, and supervise validity to avoid spurious gains. We evaluate AutoSOTA on recent research papers collected from eight top-tier AI conferences under filters for code availability and execution cost. Across these papers, AutoSOTA achieves strong end-to-end performance in both automated replication and subsequent optimization. Specifically, it successfully discovers 105 new SOTA models that surpass the original reported methods, averaging approximately five hours per paper. Case studies spanning LLM, NLP, computer vision, time series, and optimization further show that the system can move beyond routine hyperparameter tuning to identify architectural innovation, algorithmic redesigns, and workflow-level improvements. These results suggest that end-to-end research automation can serve not only as a performance optimizer, but also as a new form of research infrastructure that reduces repetitive experimental burden and helps redirect human attention toward higher-level scientific creativity.

We present Claw AI Lab, a lab-native autonomous research platform that advances automated research from a hidden prompt-to-paper pipeline into an interactive AI laboratory. Rather than centering the system around a single agent or a fixed serial workflow, we allow users to instantiate a full research team from one prompt, with customizable roles, collaborative workflows, real-time monitoring, artifact inspection, and rollback/resume control through a unified dashboard. The platform also supports distinct research modes for exploration, multi-agent discussion, and reproduction, making autonomous research substantially more steerable and laboratory-like in practice. A key practical contribution of Claw AI Lab lies in its Claw-Code Harness, which connects local codebases, datasets, and checkpoints to runnable experiments and feeds execution artifacts back into the research loop. As a result, the harness improves not only execution integration, but also experimental completion and result integrity: experiments are easier to inspect, iterate on, and faithfully transfer into final papers, reducing common failure modes such as partial runs and malformed result reporting. In our internal evaluation on five AI research case studies, using AutoResearchClaw as the baseline, Claw AI Lab is consistently preferred by AI expert judges on idea novelty, experiment completeness, and paper presentation quality. We view Claw AI Lab as an early step toward a new paradigm: autonomous research as usable, interactive, and reliability-aware scientific infrastructure.

Perovskite solar cells (PSCs) have rapidly emerged as a leading contender in next-generation photovoltaic technologies, owing to their exceptional power conversion efficiencies and advantageous material properties. Despite these advances, challenges such as long-term stability, environmental sustainability, and scalable manufacturing continue to hinder their commercialization. Precursor additive engineering has shown promise in addressing these issues by enhancing both the performance and durability of PSCs. However, the explosive growth of scientific literature and the complex interplay of materials, processes, and device architectures make it increasingly difficult for researchers to efficiently access, organize, and utilize domain knowledge in this rapidly evolving field. To address this gap, we introduce Perovskite-R1, a specialized large language model (LLM) with advanced reasoning capabilities tailored for the discovery and design of PSC precursor additives. By systematically mining and curating 1,232 high-quality scientific publications and integrating a comprehensive library of 33,269 candidate materials, we constructed a domain-specific instruction-tuning dataset using automated question-answer generation and chain-of-thought reasoning. Fine-tuning the QwQ-32B model on this dataset resulted in Perovskite-R1, which can intelligently synthesize literature insights and generate innovative and practical solutions for defect passivation and the selection of precursor additives. Experimental validation of several model-proposed strategies confirms their effectiveness in improving material stability and performance. Our work demonstrates the potential of domain-adapted LLMs in accelerating materials discovery and provides a closed-loop framework for intelligent, data-driven advancements in perovskite photovoltaic research.

Efficient experiment reproduction is critical to accelerating progress in artificial intelligence. However, the inherent complexity of method design and training procedures presents substantial challenges for automation. Notably, reproducing experiments often requires implicit domain-specific knowledge not explicitly documented in the original papers. To address this, we introduce the paper lineage algorithm, which identifies and extracts implicit knowledge from the relevant references cited by the target paper. Building on this idea, we propose AutoReproduce, a multi-agent framework capable of automatically reproducing experiments described in research papers in an end-to-end manner. AutoReproduce enhances code executability by generating unit tests alongside the reproduction process. To evaluate the reproduction capability, we construct ReproduceBench, a benchmark annotated with verified implementations, and introduce novel evaluation metrics to assess both the reproduction and execution fidelity. Experimental results demonstrate that AutoReproduce outperforms the existing strong agent baselines on all five evaluation metrics by a peak margin of over 70%. In particular, compared to the official implementations, AutoReproduce achieves an average performance gap of 22.1% on 89.74% of the executable experiment runs. The code will be available at https://github.com/AI9Stars/AutoReproduce.

Materials synthesis is vital for innovations such as energy storage, catalysis, electronics, and biomedical devices. Yet, the process relies heavily on empirical, trial-and-error methods guided by expert intuition. Our work aims to support the materials science community by providing a practical, data-driven resource. We have curated a comprehensive dataset of 17K expert-verified synthesis recipes from open-access literature, which forms the basis of our newly developed benchmark, AlchemyBench. AlchemyBench offers an end-to-end framework that supports research in large language models applied to synthesis prediction. It encompasses key tasks, including raw materials and equipment prediction, synthesis procedure generation, and characterization outcome forecasting. We propose an LLM-as-a-Judge framework that leverages large language models for automated evaluation, demonstrating strong statistical agreement with expert assessments. Overall, our contributions offer a supportive foundation for exploring the capabilities of LLMs in predicting and guiding materials synthesis, ultimately paving the way for more efficient experimental design and accelerated innovation in materials science.

The field of AI research is advancing at an unprecedented pace, enabling automated hypothesis generation and experimental design across diverse domains such as biology, mathematics, and artificial intelligence. Despite these advancements, there remains a significant gap in the availability of scalable advising systems capable of providing high-quality, well-reasoned feedback to refine proposed hypotheses and experimental designs. To address this challenge, we explore key factors that underlie the development of robust advising systems, including model size, context length, confidence estimation, and structured reasoning processes. Our findings reveal that a relatively small model, when equipped with a well-compressed literature database and a structured reasoning framework, can outperform powerful general-purpose language models such as Deepseek-R1 in terms of acceptance rates for self-ranked top-30% submissions to ICLR 2025. Moreover, when limited to high-confidence predictions, our system achieves an acceptance rate exceeding 90% on the ICLR 2025 test set, underscoring its potential to significantly enhance the quality and efficiency of hypothesis generation and experimental design. The code is released at https://github.com/HowardLiu0830/GUIDE-Research-Idea-Evaluation.

Hypothesis ranking is a crucial component of automated scientific discovery, particularly in natural sciences where wet-lab experiments are costly and throughput-limited. Existing approaches focus on pre-experiment ranking, relying solely on large language model's internal reasoning without incorporating empirical outcomes from experiments. We introduce the task of experiment-guided ranking, which aims to prioritize candidate hypotheses based on the results of previously tested ones. However, developing such strategies is challenging due to the impracticality of repeatedly conducting real experiments in natural science domains. To address this, we propose a simulator grounded in three domain-informed assumptions, modeling hypothesis performance as a function of similarity to a known ground truth hypothesis, perturbed by noise. We curate a dataset of 124 chemistry hypotheses with experimentally reported outcomes to validate the simulator. Building on this simulator, we develop a pseudo experiment-guided ranking method that clusters hypotheses by shared functional characteristics and prioritizes candidates based on insights derived from simulated experimental feedback. Experiments show that our method outperforms pre-experiment baselines and strong ablations.

AI-assisted research is crossing a threshold: fully automated systems can now generate research papers for as little as $15, while long-horizon agents can execute experiments, draft manuscripts, and simulate critique with minimal human input. Yet this productivity frontier exposes a deeper integrity problem: under scientific pressure, even frontier LLMs still fabricate results, miss hidden errors, and fail to judge novelty reliably. Studying developments through April 2026, we present an end-to-end analysis of AI across the complete research lifecycle, organized into four epistemological phases: Creation (idea generation, literature review, coding & experiments, tables & figures), Writing (paper writing), Validation (peer review, rebuttal & revision), and Dissemination (posters, slides, videos, social media, project pages, and interactive agents). We identify a sharp, stage-dependent boundary between reliable assistance and unreliable autonomy: AI excels at structured, retrieval-grounded, and tool-mediated tasks, but remains fragile for genuinely novel ideas, research-level experiments, and scientific judgment. Generated ideas often degrade after implementation, research code lags far behind pattern-matching benchmarks, and end-to-end autonomous systems have not yet consistently reached major-venue acceptance standards. We further show that greater automation can obscure rather than eliminate failure modes, making human-governed collaboration the most credible deployment paradigm. Finally, we provide a structured taxonomy, benchmark suite, and tool inventory, cross-stage design principles, and a practitioner-oriented playbook, with resources maintained at our project page.

LLM-powered multi-agent systems can now automate the full research pipeline from ideation to paper writing, but a fundamental question remains: automation for whom? Researchers operate under different resource configurations, hold different methodological preferences, and target different output formats. A system that produces uniform outputs regardless of these differences will systematically under-serve every individual user, making personalization a precondition for research automation to be genuinely usable. However, achieving it requires three capabilities that current systems lack: accumulating reusable procedural knowledge across projects, retaining user-specific experience across sessions, and internalizing implicit preferences that resist explicit formalization. We propose NanoResearch, a multi-agent framework that addresses these gaps through tri-level co-evolution. A skill bank distills recurring operations into compact procedural rules reusable across projects. A memory module maintains user- and project-specific experience that grounds planning decisions in each user's research history. A label-free policy learning converts free-form feedback into persistent parameter updates of the planner, reshaping subsequent coordination. These three layers co-evolve: reliable skills produce richer memory, richer memory informs better planning, and preference internalization continuously realigns the loop to each user. Extensive experiments demonstrate that NanoResearch delivers substantial gains over state-of-the-art AI research systems, and progressively refines itself to produce better research at lower cost over successive cycles.

Recent progress in autonomous code generation has fueled excitement around AI agents capable of accelerating scientific discovery by running experiments. However, there is currently no benchmark that evaluates whether such agents can implement scientific ideas when given varied amounts of code as a starting point, interpolating between reproduction (running code) and from-scratch replication (fully re-implementing and running code). We introduce AutoExperiment, a benchmark that evaluates AI agents' ability to implement and run machine learning experiments based on natural language descriptions in research papers. In each task, agents are given a research paper, a codebase with key functions masked out, and a command to run the experiment. The goal is to generate the missing code, execute the experiment in a sandboxed environment, and reproduce the results. AutoExperiment scales in difficulty by varying the number of missing functions n, ranging from partial reproduction to full replication. We evaluate state-of-the-art agents and find that performance degrades rapidly as n increases. Agents that can dynamically interact with the environment (e.g. to debug their code) can outperform agents in fixed "agentless" harnesses, and there exists a significant gap between single-shot and multi-trial success rates (Pass@1 vs. Pass@5), motivating verifier approaches to our benchmark. Our findings highlight critical challenges in long-horizon code generation, context retrieval, and autonomous experiment execution, establishing AutoExperiment as a new benchmark for evaluating progress in AI-driven scientific experimentation. Our data and code are open-sourced at https://github.com/j1mk1m/AutoExperiment .

AI coding agents are increasingly used for scientific work, but their end-to-end autonomous research capability remains difficult to verify. We present ResearchClawBench, a benchmark for evaluating autonomous scientific research across 40 tasks from 10 scientific domains. Each task is grounded in a real published paper, provides related literature and raw data, and hides the target paper during evaluation. Expert-curated multimodal rubrics decompose the target scientific artifacts into weighted criteria, enabling evaluation of target-paper-level re-discovery while leaving room for new discovery. We evaluate seven autonomous research (auto-research) agents under a unified protocol and seventeen native LLMs through the lightweight ResearchHarness. Current systems remain far from reliable re-discovery: the strongest autonomous agent, Claude Code, averages 21.5, and the strongest ResearchHarness LLM, Claude-Opus-4.7, averages 20.7, with an LLM frontier mean of only 26.5. Error analysis shows that failures concentrate in experimental protocol mismatch, evidence mismatch, and missing scientific core. ResearchClawBench provides a reproducible evaluation frontier for measuring progress toward autonomous scientific research.

We study auto research as a closed empirical loop driven by external measurement. Each submitted trial carries a hypothesis, an executable code edit, an evaluator-owned outcome, and feedback that shapes the next proposal. The output is not a generated paper or a single model checkpoint, but an auditable trajectory of proposals, code diffs, experiments, scores, and failure labels. We instantiate this loop with specialist agents that partition recipe surfaces and share measured lineage across trials. The central empirical finding is that lineage feedback lets agents turn evaluator outcomes, including crashes, budget overruns, size failures, and accuracy-gate misses, into later program-level recipe edits rather than one-shot suggestions. Across 1,197 headline-run trials plus 600 Parameter Golf control trials after one-time setup and launch, humans did not choose proposals, edit recipes, override scores, or repair failed trials during the search. In the three headline runs, the same submitted-trial loop reduces Parameter Golf validation bpb by 0.81%, raises NanoChat-D12 CORE by 38.7%, and reduces CIFAR-10 Airbench96 wallclock by 4.59%, with each task measured by its own external evaluator and legality checks. The trace includes a strict architecture-domain audit of 157 headline-run submissions and program rewrites such as a NanoChat attention-kernel path change. Within this scope the loop autonomously writes code, submits experiments, absorbs feedback, applies and combines known techniques inside each environment, and improves public starting recipes.

Machine learning research, crucial for technological advancements and innovation, often faces significant challenges due to its inherent complexity, slow pace of experimentation, and the necessity for specialized expertise. Motivated by this, we present a new systematic framework, autonomous Machine Learning Research with large language models (MLR-Copilot), designed to enhance machine learning research productivity through the automatic generation and implementation of research ideas using Large Language Model (LLM) agents. The framework consists of three phases: research idea generation, experiment implementation, and implementation execution. First, existing research papers are used to generate hypotheses and experimental plans vis IdeaAgent powered by LLMs. Next, the implementation generation phase translates these plans into executables with ExperimentAgent. This phase leverages retrieved prototype code and optionally retrieves candidate models and data. Finally, the execution phase, also managed by ExperimentAgent, involves running experiments with mechanisms for human feedback and iterative debugging to enhance the likelihood of achieving executable research outcomes. We evaluate our framework on five machine learning research tasks and the experimental results show the framework's potential to facilitate the research progress and innovations.

We report a case study of four end-to-end attempts to autonomously generate ML research papers using a pipeline of six LLM agents mapped to stages of the scientific workflow. Of these four, three attempts failed during implementation or evaluation. One completed the pipeline and was accepted to Agents4Science 2025, an experimental inaugural venue that required AI systems as first authors, passing both human and multi-AI review. From these attempts, we document six recurring failure modes: bias toward training data defaults, implementation drift under execution pressure, memory and context degradation across long-horizon tasks, overexcitement that declares success despite obvious failures, insufficient domain intelligence, and weak scientific taste in experimental design. We conclude by discussing four design principles for more robust AI-scientist systems, implications for autonomous scientific discovery, and we release all prompts, artifacts, and outputs at https://github.com/Lossfunk/ai-scientist-artefacts-v1

Autoresearch offers a flexible paradigm for automating scientific tasks, in which an AI agent proposes, implements, evaluates, and refines candidate solutions against a quantitative objective. Here, we use composition-based materials-property prediction to test whether such agents can perform a task beyond model selection and hyperparameter optimization: the design of input descriptors. We introduce Automat, an autoresearch framework where a coding agent based on a large language model generates composition-only descriptors for chemical compounds and evaluates them using a random forest workflow. The agent is restricted to information derivable from chemical formulas and iteratively proposes, implements, and tests chemically motivated descriptor strategies. We apply Automat, with OpenAI Codex using GPT-5.5 as the coding agent, to the prediction of experimental band gaps in inorganic materials and Curie temperatures in ferromagnetic compounds. In both tasks, Automat improves over fractional-composition, Magpie, and combined fractional-composition/Magpie baselines, while producing descriptor families that are chemically interpretable. These results provide a demonstration that autoresearch agents can generate competitive, task-specific materials descriptors without manual feature engineering during the run. They also reveal current limitations, including descriptor redundancy, sensitivity to greedy feature expansion, and the need for explicit complexity control, descriptor pruning, and more sophisticated search strategies.

The automation of scientific discovery has been a long-standing goal within the research community, driven by the potential to accelerate knowledge creation. While significant progress has been made using commercial large language models (LLMs) as research assistants or idea generators, the possibility of automating the entire research process with open-source LLMs remains largely unexplored. This paper explores the feasibility of using open-source post-trained LLMs as autonomous agents capable of performing the full cycle of automated research and review, from literature review and manuscript preparation to peer review and paper revision. Our iterative preference training framework consists of CycleResearcher, which conducts research tasks, and CycleReviewer, which simulates the peer review process, providing iterative feedback via reinforcement learning. To train these models, we develop two new datasets, Review-5k and Research-14k, reflecting real-world machine learning research and peer review dynamics. Our results demonstrate that CycleReviewer achieves a 26.89\% improvement in mean absolute error (MAE) over individual human reviewers in predicting paper scores, indicating that LLMs can surpass expert-level performance in research evaluation. In research, the papers generated by the CycleResearcher model achieved a score of 5.36 in simulated peer reviews, surpassing the preprint level of 5.24 from human experts and approaching the accepted paper level of 5.69. This work represents a significant step toward fully automated scientific inquiry, providing ethical safeguards and advancing AI-driven research capabilities. The code, dataset and model weight are released at http://github/minjun-zhu/Researcher.

Autonomous scientific research is significantly advanced thanks to the development of AI agents. One key step in this process is finding the right scientific literature, whether to explore existing knowledge for a research problem, or to acquire evidence for verifying assumptions and supporting claims. To assess AI agents' capability in driving this process, we present AutoResearchBench, a dedicated benchmark for autonomous scientific literature discovery. AutoResearchBench consists of two complementary task types: (1) Deep Research, which requires tracking down a specific target paper through a progressive, multi-step probing process, and (2) Wide Research, which requires comprehensively collecting a set of papers satisfying given conditions. Compared to previous benchmarks on agentic web browsing, AutoResearchBench is distinguished along three dimensions: it is research-oriented, calling for in-depth comprehension of scientific concepts; literature-focused, demanding fine-grained utilization of detailed information; and open-ended, involving an unknown number of qualified papers and thus requiring deliberate reasoning and search throughout. These properties make AutoResearchBench uniquely suited for evaluating autonomous research capabilities, and extraordinarily challenging. Even the most powerful LLMs, despite having largely conquered general agentic web-browsing benchmarks such as BrowseComp, achieve only 9.39% accuracy on Deep Research and 9.31% IoU on Wide Research, while many other strong baselines fall below 5%. We publicly release the dataset and evaluation pipeline to facilitate future research in this direction. We publicly release the dataset, evaluation pipeline, and code at https://github.com/CherYou/AutoResearchBench.

Autonomous research agents can already run machine learning experiments without human supervision, but many rely on a narrow search strategy: they repeatedly modify one program and keep changes only when they improve the current best result. This can cause them to discard useful partial ideas, alternative promising directions, and insights from failed or incomplete experiments. GEAR, or Genetic AutoResearch, replaces this single-path search with a population-based search over multiple research states. It keeps a set of strong candidate solutions, selects parents based on productivity, novelty, and coverage, and explores new ideas through mutation and crossover. Each research state stores its code changes, reflections, and performance data, allowing future decisions to build on past discoveries. The paper studies three versions of GEAR: one controlled through prompting, one using a fixed programmatic search controller, and one where the controller itself can evolve during the run. Under the same compute budget and environment, all three versions outperform the AutoResearch baseline. More importantly, while the baseline tends to settle into one local optimum, GEAR continues finding improvements over longer runs. Overall, the results suggest that autonomous research agents become more effective when they maintain multiple promising directions and can adapt their search strategy over time.

Fully automated self-driving laboratories are promising to enable high-throughput and large-scale scientific discovery by reducing repetitive labour. However, effective automation requires deep integration of laboratory knowledge, which is often unstructured, multimodal, and difficult to incorporate into current AI systems. This paper introduces the k-agents framework, designed to support experimentalists in organizing laboratory knowledge and automating experiments with agents. Our framework employs large language model-based agents to encapsulate laboratory knowledge including available laboratory operations and methods for analyzing experiment results. To automate experiments, we introduce execution agents that break multi-step experimental procedures into state machines, interact with other agents to execute each step and analyze the experiment results. The analyzed results are then utilized to drive state transitions, enabling closed-loop feedback control. To demonstrate its capabilities, we applied the agents to calibrate and operate a superconducting quantum processor, where they autonomously planned and executed experiments for hours, successfully producing and characterizing entangled quantum states at the level achieved by human scientists. Our knowledge-based agent system opens up new possibilities for managing laboratory knowledge and accelerating scientific discovery.

Autonomous agents built on language models (LMs) are showing increasing popularity in many fields, including scientific research. AI co-scientists aim to support or automate parts of the research process using these agents. A key component of empirical AI research is the design of ablation experiments. To this end, we introduce AblationBench, a benchmark suite for evaluating agents on ablation planning tasks in empirical AI research. It includes two tasks: AuthorAblation, which helps authors propose ablation experiments based on a method section and contains 83 instances, and ReviewerAblation, which helps reviewers find missing ablations in a full paper and contains 350 instances. For both tasks, we develop LM-based judges that serve as an automatic evaluation framework. Our experiments with frontier LMs show that these tasks remain challenging, with the best-performing LM system identifying only 29% of the original ablations on average. Lastly, we analyze the limitations of current LMs on these tasks, and find that chain-of-thought prompting outperforms the currently existing agent-based approach.

Automated AI research holds great potential to accelerate scientific discovery. However, current LLMs often generate plausible-looking but ineffective ideas. Execution grounding may help, but it is unclear whether automated execution is feasible and whether LLMs can learn from the execution feedback. To investigate these, we first build an automated executor to implement ideas and launch large-scale parallel GPU experiments to verify their effectiveness. We then convert two realistic research problems - LLM pre-training and post-training - into execution environments and demonstrate that our automated executor can implement a large fraction of the ideas sampled from frontier LLMs. We analyze two methods to learn from the execution feedback: evolutionary search and reinforcement learning. Execution-guided evolutionary search is sample-efficient: it finds a method that significantly outperforms the GRPO baseline (69.4% vs 48.0%) on post-training, and finds a pre-training recipe that outperforms the nanoGPT baseline (19.7 minutes vs 35.9 minutes) on pre-training, all within just ten search epochs. Frontier LLMs often generate meaningful algorithmic ideas during search, but they tend to saturate early and only occasionally exhibit scaling trends. Reinforcement learning from execution reward, on the other hand, suffers from mode collapse. It successfully improves the average reward of the ideator model but not the upper-bound, due to models converging on simple ideas. We thoroughly analyze the executed ideas and training dynamics to facilitate future efforts towards execution-grounded automated AI research.

Scientific research proceeds through iterative cycles of hypothesis generation, experiment design, execution, and revision. AI agents can automate parts of this process, but existing approaches typically follow a single research trajectory or coordinate through a central planner with fixed objectives. As a result, they struggle to sustain parallel exploration, adapt as experimental evidence changes, or preserve knowledge of failed directions over long-running experiments. We introduce AutoScientists, a decentralized team of AI agents for long-running computational scientific experimentation. Agents interpret a shared experimental state, self-organize into teams around promising hypotheses, critique proposals before using experimental compute, and share successes and failures to reduce redundant exploration. Under matched experimental budgets, AutoScientists improves over prior AI agents across biomedical machine learning, language-model training optimization, and protein fitness prediction. On BioML-Bench, spanning biomedical imaging, protein engineering, single-cell omics, and drug discovery, AutoScientists achieves a mean leaderboard percentile of 74.4% across 24 tasks, improving over the strongest AI agent by +8.33%. On GPT training optimization, AutoScientists reaches a target validation bits-per-byte 1.9x faster than Autoresearch and continues discovering improvements from a starting champion where the single-agent approach finds none (7 vs. 0 accepted improvements). On ProteinGym fitness prediction, AutoScientists discovers a method for ACE2-Spike binding that improves over the current state-of-the-art model by +12.5% in Spearman correlation. Applied without modification across all 217 ProteinGym assays, the same method improves over the prior state of the art by +6.5% (Spearman correlation).

We introduce Autodata, a general method that enables AI agents to act as data scientists who build high quality training and evaluation data. We show how to train (meta-optimize) such a data scientist agent, so that it learns to create even stronger data. We describe the overall formulation, and a specific practical implementation, Agentic Self-Instruct. We conduct experiments on computer science research tasks, legal reasoning tasks and reasoning with mathematical objects, where we obtain improved results compared to classical synthetic dataset creation methods. Further, meta-optimizing the data scientist agent itself delivers an even larger performance uplift. Agentic data creation provides a way to convert increased inference compute into higher quality model training. Overall, we believe this direction has the potential to change the way we build AI data.

Automating AI research holds immense potential for accelerating scientific progress, yet current AI agents struggle with the complexities of rigorous, end-to-end experimentation. We introduce EXP-Bench, a novel benchmark designed to systematically evaluate AI agents on complete research experiments sourced from influential AI publications. Given a research question and incomplete starter code, EXP-Bench challenges AI agents to formulate hypotheses, design and implement experimental procedures, execute them, and analyze results. To enable the creation of such intricate and authentic tasks with high-fidelity, we design a semi-autonomous pipeline to extract and structure crucial experimental details from these research papers and their associated open-source code. With the pipeline, EXP-Bench curated 461 AI research tasks from 51 top-tier AI research papers. Evaluations of leading LLM-based agents, such as OpenHands and IterativeAgent on EXP-Bench demonstrate partial capabilities: while scores on individual experimental aspects such as design or implementation correctness occasionally reach 20-35%, the success rate for complete, executable experiments was a mere 0.5%. By identifying these bottlenecks and providing realistic step-by-step experiment procedures, EXP-Bench serves as a vital tool for future AI agents to improve their ability to conduct AI research experiments. EXP-Bench is open-sourced at https://github.com/Just-Curieous/Curie/tree/main/benchmark/exp_bench.

If autoresearch is itself a form of research, then autoresearch can be applied to research itself. We present Bilevel Autoresearch, a bilevel framework in which an outer autoresearch loop improves an inner autoresearch loop by reading its code and traces, identifying bottlenecks, and generating injectable Python search mechanisms at runtime. The inner loop optimizes task performance; the outer loop optimizes how the inner loop searches. Both loops use the same LLM, so improvements come from the bilevel architecture rather than a stronger meta-level model, although the outer loop consumes additional inference and wall-clock budget. On Karpathy's GPT pretraining benchmark, the meta-autoresearch outer loop achieves a 5x improvement over the standard inner loop alone (-0.045 vs. -0.009 val_bpb), while parameter-level adjustment without mechanism change yields no reliable gain. The outer loop instantiates mechanisms from adjacent search domains, including combinatorial optimization, multi-armed bandits, and design of experiments, without human specification of the final mechanism design. Trace analysis suggests that these mechanisms break deterministic search patterns and force exploration of directions the LLM's priors avoid. The experiments demonstrate, on this benchmark, a first bilevel step: an outer loop improves the search behavior of an inner loop. Code is the mechanism carrier in this implementation, but skills, prompts, workflows, evaluators, domain principles, world-model assumptions, and memory schemas can also encode mechanisms that shape future agent behavior. This suggests a path toward recursive bootstrapping, where mechanisms discovered for the inner loop can be fed back to improve the meta-level loop itself.

A central aspect of machine learning research is experimentation, the process of designing and running experiments, analyzing the results, and iterating towards some positive outcome (e.g., improving accuracy). Could agents driven by powerful language models perform machine learning experimentation effectively? To answer this question, we introduce MLAgentBench, a suite of 13 tasks ranging from improving model performance on CIFAR-10 to recent research problems like BabyLM. For each task, an agent can perform actions like reading/writing files, executing code, and inspecting outputs. We then construct an agent that can perform ML experimentation based on ReAct framework. We benchmark agents based on Claude v1.0, Claude v2.1, Claude v3 Opus, GPT-4, GPT-4-turbo, Gemini-Pro, and Mixtral and find that a Claude v3 Opus agent is the best in terms of success rate. It can build compelling ML models over many tasks in MLAgentBench with 37.5% average success rate. Our agents also display highly interpretable plans and actions. However, the success rates vary considerably; they span from 100% on well-established older datasets to as low as 0% on recent Kaggle challenges created potentially after the underlying LM was trained. Finally, we identify several key challenges for LM-based agents such as long-term planning and reducing hallucination. Our code is released at https://github.com/snap-stanford/MLAgentBench.

The integration of Agentic AI into scientific discovery marks a new frontier in research automation. These AI systems, capable of reasoning, planning, and autonomous decision-making, are transforming how scientists perform literature review, generate hypotheses, conduct experiments, and analyze results. This survey provides a comprehensive overview of Agentic AI for scientific discovery, categorizing existing systems and tools, and highlighting recent progress across fields such as chemistry, biology, and materials science. We discuss key evaluation metrics, implementation frameworks, and commonly used datasets to offer a detailed understanding of the current state of the field. Finally, we address critical challenges, such as literature review automation, system reliability, and ethical concerns, while outlining future research directions that emphasize human-AI collaboration and enhanced system calibration.

AI scientist systems, capable of autonomously executing the full research workflow from hypothesis generation and experimentation to paper writing, hold significant potential for accelerating scientific discovery. However, the internal workflow of these systems have not been closely examined. This lack of scrutiny poses a risk of introducing flaws that could undermine the integrity, reliability, and trustworthiness of their research outputs. In this paper, we identify four potential failure modes in contemporary AI scientist systems: inappropriate benchmark selection, data leakage, metric misuse, and post-hoc selection bias. To examine these risks, we design controlled experiments that isolate each failure mode while addressing challenges unique to evaluating AI scientist systems. Our assessment of two prominent open-source AI scientist systems reveals the presence of several failures, across a spectrum of severity, which can be easily overlooked in practice. Finally, we demonstrate that access to trace logs and code from the full automated workflow enables far more effective detection of such failures than examining the final paper alone. We thus recommend journals and conferences evaluating AI-generated research to mandate submission of these artifacts alongside the paper to ensure transparency, accountability, and reproducibility.

Large language models (LLMs) have enabled agent-based systems that aim to automate scientific research workflows. Most existing approaches focus on fully autonomous discovery, where AI systems generate research ideas, conduct analyses, and produce manuscripts with minimal human involvement. However, empirical research in economics and the social sciences poses additional constraints: research questions must be grounded in available datasets, identification strategies require careful design, and human judgment remains essential for evaluating economic significance. We introduce HLER (Human-in-the-Loop Economic Research), a multi-agent architecture that supports empirical research automation while preserving critical human oversight. The system orchestrates specialized agents for data auditing, data profiling, hypothesis generation, econometric analysis, manuscript drafting, and automated review. A key design principle is dataset-aware hypothesis generation, where candidate research questions are constrained by dataset structure, variable availability, and distributional diagnostics, reducing infeasible or hallucinated hypotheses. HLER further implements a two-loop architecture: a question quality loop that screens and selects feasible hypotheses, and a research revision loop where automated review triggers re-analysis and manuscript revision. Human decision gates are embedded at key stages, allowing researchers to guide the automated pipeline. Experiments on three empirical datasets show that dataset-aware hypothesis generation produces feasible research questions in 87% of cases (versus 41% under unconstrained generation), while complete empirical manuscripts can be produced at an average API cost of 0.8-1.5 per run. These results suggest that Human-AI collaborative pipelines may provide a practical path toward scalable empirical research.

The automation of scientific discovery represents a critical milestone in Artificial Intelligence (AI) research. However, existing agentic systems for science suffer from two fundamental limitations: rigid, pre-programmed workflows that cannot adapt to intermediate findings, and inadequate context management that hinders long-horizon research. We present freephdlabor, an open-source multiagent framework featuring fully dynamic workflows determined by real-time agent reasoning and a \textit{modular architecture} enabling seamless customization -- users can modify, add, or remove agents to address domain-specific requirements. The framework provides comprehensive infrastructure including automatic context compaction, workspace-based communication to prevent information degradation, memory persistence across sessions, and non-blocking human intervention mechanisms. These features collectively transform automated research from isolated, single-run attempts into continual research programs that build systematically on prior explorations and incorporate human feedback. By providing both the architectural principles and practical implementation for building customizable co-scientist systems, this work aims to facilitate broader adoption of automated research across scientific domains, enabling practitioners to deploy interactive multiagent systems that autonomously conduct end-to-end research -- from ideation through experimentation to publication-ready manuscripts.

We study two-level autoresearch for cooperation: an outer-loop AI agent autonomously redesigns the inner-loop pipeline of an LLM policy-synthesis system for multi-agent Sequential Social Dilemmas (SSDs). A researcher agent R (run as a coding agent) reads the inner-loop source code, edits system prompts, feedback functions, helper libraries, and iteration logic, runs evaluations, and decides what to keep, following the autoresearch paradigm. Across two games (Cleanup and Gathering), two policy-synthesizer LLMs, and two welfare objectives (utilitarian efficiency and Rawlsian maximin), the researcher reliably exceeds hand-designed baselines, sharply tightens run-to-run variance, and outperforms prompt-only optimization. The discovered pipelines are objective-dependent: only under maximin does the researcher inject an explicit fairness mechanism into synthesizer pipelines, a class of mechanism that is absent from its own objective-agnostic system prompt and from every efficiency-optimized pipeline. This supports an information-design reading in which the researcher chooses what to reveal to the boundedly rational synthesizer as a function of the welfare objective. Code at https://github.com/vicgalle/autoresearch-social-dilemmas.

The powerful reasoning capabilities of Large Language Models (LLMs) in mathematics and coding, combined with their ability to automate complex tasks through agentic frameworks, present unprecedented opportunities for accelerating scientific innovation. In this paper, we introduce AI-Researcher, a fully autonomous research system that transforms how AI-driven scientific discovery is conducted and evaluated. Our framework seamlessly orchestrates the complete research pipeline--from literature review and hypothesis generation to algorithm implementation and publication-ready manuscript preparation--with minimal human intervention. To rigorously assess autonomous research capabilities, we develop Scientist-Bench, a comprehensive benchmark comprising state-of-the-art papers across diverse AI research domains, featuring both guided innovation and open-ended exploration tasks. Through extensive experiments, we demonstrate that AI-Researcher achieves remarkable implementation success rates and produces research papers that approach human-level quality. This work establishes new foundations for autonomous scientific innovation that can complement human researchers by systematically exploring solution spaces beyond cognitive limitations.

Scientific discovery is a closed-loop process in which hypotheses guide data acquisition and observations refine the hypothesis space. Yet most approaches reduce discovery to supervised learning over fixed datasets, where limited observations can support multiple plausible mechanisms that fit locally but fail to generalize. Thus, the key challenge is selecting informative observations to resolve uncertainty, shifting the focus from static inference to adaptive data acquisition. To address this, we propose LLM-AutoSciLab, a closed-loop framework that couples hypothesis generation with hypothesis-conditioned experiment selection and mechanism refinement. Rather than fitting models to passively collected data, LLM-AutoSciLab iteratively proposes plausible hypotheses, selects informative experiments to distinguish or refine them, and updates its state using the resulting evidence. To evaluate dynamic, closed-loop scientific discovery with active data acquisition, we introduce ActiveSciBench, comprising two datasets: ActiveSciBench-Chem with 57 enzyme-kinetics tasks and ActiveSciBench-GRN with 45 gene-regulatory-network tasks. These datasets model discovery as a budget-constrained process requiring adaptive experiment design, variable selection, and recovery of true mechanisms. Across NewtonBench, ActiveSciBench-Chem, and ActiveSciBench-GRN, LLM-AutoSciLab outperforms prior methods, achieving 67.6% and 35.1% symbolic accuracy on NewtonBench and ActiveSciBench-Chem, respectively, and 31.1% exact graph recovery on ActiveSciBench-GRN. Moreover, hypothesis-guided experimentation is 2-5x more sample-efficient than the strongest competing baselines. Code and data are available at: https://github.com/scientific-discovery/LLM-AutoSciLab

Scientific progress depends on a repeated loop of exploration, experimentation, and abstraction. Researchers test candidate directions, interpret the evidence, and carry the resulting lessons into later attempts. We study how an AI agent can run this loop autonomously over long horizons. We introduce Arbor, a general framework for autonomous research that combines a long-lived coordinator, short-lived executors, and Hypothesis Tree Refinement (HTR), a persistent tree that links hypotheses, artifacts, evidence, and distilled insights across time. The coordinator manages global research strategy over the tree, while executors implement and test individual hypotheses in isolated worktrees. As results return, Arbor updates the tree, propagates reusable lessons, refines the search frontier, and admits verified improvements. This design turns autonomous research from a sequence of local attempts into a cumulative process in which strategy, execution, and evidence are carried across time. We evaluate Arbor under Autonomous Optimization (AO), an operational setting where an agent improves an initial research artifact through iterative experimentation without step-level human supervision. Across six real research tasks in model training, harness engineering, and data synthesis, Arbor achieves the best held-out result on all six tasks, attaining more than 2.5x the average relative held-out gain of Codex and Claude Code under the same task interface and resource budget. On MLE-Bench Lite, Arbor reaches 86.36% Any Medal with GPT-5.5, the strongest result in our comparison.

Large language models (LLMs) have sparked growing interest in automatic machine learning research agents. Among them, agents capable of autonomously proposing ideas and conducting machine learning experiments are particularly promising, as they maximize research automation and accelerate scientific progress by iteratively refining ideas based on experimental results. However, comprehensively evaluating such agents remains challenging. Existing benchmarks tend to overemphasize engineering aspects while neglecting academic rigor, creating barriers that obscure a clear assessment of an agent's scientific capabilities in machine learning research. They also suffer from limited task diversity, an overemphasis on application-oriented tasks over fundamental research problems, and limited scalability to realistic research settings. To address these limitations, we introduce FML-bench, a benchmark designed to evaluate automatic machine learning research agents on 8 diverse and fundamental machine learning research problems. It reduces coding burden, emphasizes fundamental problems rather than specific use cases, offers high task diversity, and is extensible to real-world machine learning GitHub repositories. Furthermore, we present a unified evaluation framework with five complementary metrics, designed to comprehensively assess agent performance on our benchmark. We evaluate state-of-the-art automatic research agents on FML-bench, and find that agents employing broad research exploration strategies outperform those focusing on narrow but deep exploration. These findings suggest that emphasizing the breadth of exploration may lead to more effective research outcomes than focusing solely on incremental refinement. Our benchmark is available at https://github.com/qrzou/FML-bench.

Understanding the current capabilities and risks of AI Scientist systems is essential for ensuring trustworthy and sustainable AI-driven scientific progress while preserving the integrity of the academic ecosystem. To this end, we develop Jr. AI Scientist, a state-of-the-art autonomous AI scientist system that mimics the core research workflow of a novice student researcher: Given the baseline paper from the human mentor, it analyzes its limitations, formulates novel hypotheses for improvement, validates them through rigorous experimentation, and writes a paper with the results. Unlike previous approaches that assume full automation or operate on small-scale code, Jr. AI Scientist follows a well-defined research workflow and leverages modern coding agents to handle complex, multi-file implementations, leading to scientifically valuable contributions. For evaluation, we conducted automated assessments using AI Reviewers, author-led evaluations, and submissions to Agents4Science, a venue dedicated to AI-driven scientific contributions. The findings demonstrate that Jr. AI Scientist generates papers receiving higher review scores than existing fully automated systems. Nevertheless, we identify important limitations from both the author evaluation and the Agents4Science reviews, indicating the potential risks of directly applying current AI Scientist systems and key challenges for future research. Finally, we comprehensively report various risks identified during development. We hope these insights will deepen understanding of current progress and risks in AI Scientist development.

One of the grand challenges of artificial general intelligence is developing agents capable of conducting scientific research and discovering new knowledge. While frontier models have already been used as aids to human scientists, e.g. for brainstorming ideas, writing code, or prediction tasks, they still conduct only a small part of the scientific process. This paper presents the first comprehensive framework for fully automatic scientific discovery, enabling frontier large language models to perform research independently and communicate their findings. We introduce The AI Scientist, which generates novel research ideas, writes code, executes experiments, visualizes results, describes its findings by writing a full scientific paper, and then runs a simulated review process for evaluation. In principle, this process can be repeated to iteratively develop ideas in an open-ended fashion, acting like the human scientific community. We demonstrate its versatility by applying it to three distinct subfields of machine learning: diffusion modeling, transformer-based language modeling, and learning dynamics. Each idea is implemented and developed into a full paper at a cost of less than $15 per paper. To evaluate the generated papers, we design and validate an automated reviewer, which we show achieves near-human performance in evaluating paper scores. The AI Scientist can produce papers that exceed the acceptance threshold at a top machine learning conference as judged by our automated reviewer. This approach signifies the beginning of a new era in scientific discovery in machine learning: bringing the transformative benefits of AI agents to the entire research process of AI itself, and taking us closer to a world where endless affordable creativity and innovation can be unleashed on the world's most challenging problems. Our code is open-sourced at https://github.com/SakanaAI/AI-Scientist

Autonomous agents powered by large language models (LLMs) promise to accelerate scientific discovery end-to-end, but rigorously evaluating their capacity for verifiable discovery remains a central challenge. Existing benchmarks face a trade-off: they either heavily rely on LLM-as-judge evaluations of automatically generated research outputs or optimize convenient yet isolated performance metrics that provide coarse proxies for scientific insight. To address this gap, we introduce FIRE-Bench (Full-cycle Insight Rediscovery Evaluation), a benchmark that evaluates agents through the rediscovery of established findings from recent, high-impact machine learning research. Agents are given only a high-level research question extracted from a published, verified study and must autonomously explore ideas, design experiments, implement code, execute their plans, and derive conclusions supported by empirical evidence. We evaluate a range of state-of-the-art agents with frontier LLMs backbones like gpt-5 on FIRE-Bench. Our results show that full-cycle scientific research remains challenging for current agent systems: even the strongest agents achieve limited rediscovery success (<50 F1), exhibit high variance across runs, and display recurring failure modes in experimental design, execution, and evidence-based reasoning. FIRE-Bench provides a rigorous and diagnostic framework for measuring progress toward reliable agent-driven scientific discovery.

The history of science is punctuated by serendipitous discoveries, where unexpected observations, rather than targeted hypotheses, opened new fields of inquiry. While modern autonomous laboratories excel at accelerating hypothesis testing, their optimization for efficiency risks overlooking these crucial, unplanned findings. To address this gap, we introduce SciLink, an open-source, multi-agent artificial intelligence framework designed to operationalize serendipity in materials research by creating a direct, automated link between experimental observation, novelty assessment, and theoretical simulations. The framework employs a hybrid AI strategy where specialized machine learning models perform quantitative analysis of experimental data, while large language models handle higher-level reasoning. These agents autonomously convert raw data from materials characterization techniques into falsifiable scientific claims, which are then quantitatively scored for novelty against the published literature. We demonstrate the framework's versatility across diverse research scenarios, showcasing its application to atomic-resolution and hyperspectral data, its capacity to integrate real-time human expert guidance, and its ability to close the research loop by proposing targeted follow-up experiments. By systematically analyzing all observations and contextualizing them, SciLink provides a practical framework for AI-driven materials research that not only enhances efficiency but also actively cultivates an environment ripe for serendipitous discoveries, thereby bridging the gap between automated experimentation and open-ended scientific exploration.

Automating AI research differs from general software engineering due to computationally expensive evaluation (e.g., model training) and opaque performance attribution. Current LLM-based agents struggle here, often generating monolithic scripts that ignore execution costs and causal factors. We introduce MARS (Modular Agent with Reflective Search), a framework optimized for autonomous AI research. MARS relies on three pillars: (1) Budget-Aware Planning via cost-constrained Monte Carlo Tree Search (MCTS) to explicitly balance performance with execution expense; (2) Modular Construction, employing a "Design-Decompose-Implement" pipeline to manage complex research repositories; and (3) Comparative Reflective Memory, which addresses credit assignment by analyzing solution differences to distill high-signal insights. MARS achieves state-of-the-art performance among open-source frameworks on MLE-Bench under comparable settings, maintaining competitiveness with the global leaderboard's top methods. Furthermore, the system exhibits qualitative "Aha!" moments, where 63% of all utilized lessons originate from cross-branch transfer, demonstrating that the agent effectively generalizes insights across search paths.

AI systems can increasingly automate scientific workflows, but the reasoning that links prior evidence, generated ideas, experiments and final claims often remains implicit inside model inference. Here we introduce Xcientist, a research harness that externalizes research synthesis and experimental validation into inspectable, contract-governed processes. Xcientist organizes literature evidence, idea states, implementation plans, ablation records and repair traces as persistent research artifacts, so that generated mechanisms can be grounded, executed, tested and revised without losing their evidential basis. We identify claim drift as a failure mode of automated research, where runnable artifacts no longer support the mechanism originally claimed. Across training-free memory systems, graph-structured traffic forecasting and multi-scale physics-informed neural networks, Xcientist preserves traceable trajectories from problem formulation to mechanism design, validation and bounded revision. These results suggest that AI scientists should be evaluated not only by their final artifacts, but by whether their synthesis and validation processes remain attributable, inspectable and scientifically accountable.

In the quest for scientific progress, communicating research is as vital as the discovery itself. Yet, researchers are often sidetracked by the manual, repetitive chore of building project webpages to make their dense papers accessible. While automation has tackled static slides and posters, the dynamic, interactive nature of webpages has remained an unaddressed challenge. To bridge this gap, we reframe the problem, arguing that the solution lies not in a single command, but in a collaborative, hierarchical process. We introduce AutoPage, a novel multi-agent system that embodies this philosophy. AutoPage deconstructs paper-to-page creation into a coarse-to-fine pipeline from narrative planning to multimodal content generation and interactive rendering. To combat AI hallucination, dedicated "Checker" agents verify each step against the source paper, while optional human checkpoints ensure the final product aligns perfectly with the author's vision, transforming the system from a mere tool into a powerful collaborative assistant. To rigorously validate our approach, we also construct PageBench, the first benchmark for this new task. Experiments show AutoPage not only generates high-quality, visually appealing pages but does so with remarkable efficiency in under 15 minutes for less than \0.1. Code and dataset will be released at https://mqleet.github.io/AutoPage_ProjectPage/{Webpage}$.

AI agents hold the potential to revolutionize scientific productivity by automating literature reviews, replicating experiments, analyzing data, and even proposing new directions of inquiry; indeed, there are now many such agents, ranging from general-purpose "deep research" systems to specialized science-specific agents, such as AI Scientist and AIGS. Rigorous evaluation of these agents is critical for progress. Yet existing benchmarks fall short on several fronts: they (1) fail to provide holistic, product-informed measures of real-world use cases such as science research; (2) lack reproducible agent tools necessary for a controlled comparison of core agentic capabilities; (3) do not account for confounding variables such as model cost and tool access; (4) do not provide standardized interfaces for quick agent prototyping and evaluation; and (5) lack comprehensive baseline agents necessary to identify true advances. In response, we define principles and tooling for more rigorously benchmarking agents. Using these, we present AstaBench, a suite that provides the first holistic measure of agentic ability to perform scientific research, comprising 2400+ problems spanning the entire scientific discovery process and multiple scientific domains, and including many problems inspired by actual user requests to deployed Asta agents. Our suite comes with the first scientific research environment with production-grade search tools that enable controlled, reproducible evaluation, better accounting for confounders. Alongside, we provide a comprehensive suite of nine science-optimized classes of Asta agents and numerous baselines. Our extensive evaluation of 57 agents across 22 agent classes reveals several interesting findings, most importantly that despite meaningful progress on certain individual aspects, AI remains far from solving the challenge of science research assistance.

Agentic AI tools offer a promising path to automating software development bottlenecks in scientific research pipelines, particularly for stages that take domain experts days to months to build, where scientists care about correctness and robustness, not implementation details. We present an empirical study of general-purpose coding agents on a fly optogenetics data-to-discovery pipeline. We assess agents on tasks substantially larger than existing benchmarks, datasets orders of magnitude bigger, and evaluation criteria grounded in domain expert standards. We show that agents can solve several individual pipeline stages, suggesting stage-level automation is tractable. By analyzing agents' code iterations, we show that they struggle most when there is not a pre-defined criterion to iterate on, and they must instead use their scientific judgment to assess their current solution, a key open challenge. Mirroring scientific practice, they sometimes attempt visual inspection of intermediate outputs for self-evaluation, but largely fail to interpret what they see or act on it appropriately. Solving the end-to-end pipeline correctly requires stringing together successes across all pipeline stages, and this is beyond agents' current abilities. We identify challenges largely absent from existing benchmarks, including computational resource management and generalization to large held-out data collections. Finally, we distill principles for constructing scientific tasks and rigorous evaluation criteria for open-ended problems.

AI systems increasingly participate in their own improvement: revising their outputs, adapting their own harnesses during deployment, training on data they generate, and, increasingly, conducting AI research itself. This literature is described under a vocabulary ("self-refine," "self-reward," "self-play," "self-evolve") that conflates fundamentally different ambitions. We survey 1,250 arXiv papers (2024-2026) along two axes: what the system improves -- its behavior in deployment, its policy through training, its evaluator, or the research process itself -- and the degree of loop closure (human-in-the-loop to fully closed). The taxonomy separates bounded self-refinement -- convergent, evaluable, and already industrial practice -- from open-ended recursive self-improvement (RSI), which remains bounded by grounding requirements, collapse dynamics, and compute constraints on every measured axis. Its distinctive feature is a dedicated category for self-evaluation: every improvement loop is a claim that some signal can substitute for human judgment. We survey the evaluator design space -- judges, process reward models, verifiers, rubrics, meta-evaluation -- order the signals into a verification hierarchy from formal verifiers (strongest) to intrinsic self-assessment (weakest), and observe that demonstrated self-improvement strength tracks this hierarchy, that its failure modes (self-confirming loops, model collapse, diversity collapse) follow from its violations, and that the "research direction-setting" bottleneck keeping humans in the loop sits at the top of that hierarchy. We connect the technical literature to the theory of RSI limits and to the safety and governance questions raised by frontier-lab accounts of closing the loop, and identify governance-grade measurement of self-improvement as the field's most underpopulated niche.

The rapid advancement in capabilities of large language models (LLMs) raises a pivotal question: How can LLMs accelerate scientific discovery? This work tackles the crucial first stage of research, generating novel hypotheses. While recent work on automated hypothesis generation focuses on multi-agent frameworks and extending test-time compute, none of the approaches effectively incorporate transparency and steerability through a synergistic Human-in-the-loop (HITL) approach. To address this gap, we introduce IRIS: Interactive Research Ideation System, an open-source platform designed for researchers to leverage LLM-assisted scientific ideation. IRIS incorporates innovative features to enhance ideation, including adaptive test-time compute expansion via Monte Carlo Tree Search (MCTS), fine-grained feedback mechanism, and query-based literature synthesis. Designed to empower researchers with greater control and insight throughout the ideation process. We additionally conduct a user study with researchers across diverse disciplines, validating the effectiveness of our system in enhancing ideation. We open-source our code at https://github.com/Anikethh/IRIS-Interactive-Research-Ideation-System

Historically, scientific discovery has been a lengthy and costly process, demanding substantial time and resources from initial conception to final results. To accelerate scientific discovery, reduce research costs, and improve research quality, we introduce Agent Laboratory, an autonomous LLM-based framework capable of completing the entire research process. This framework accepts a human-provided research idea and progresses through three stages--literature review, experimentation, and report writing to produce comprehensive research outputs, including a code repository and a research report, while enabling users to provide feedback and guidance at each stage. We deploy Agent Laboratory with various state-of-the-art LLMs and invite multiple researchers to assess its quality by participating in a survey, providing human feedback to guide the research process, and then evaluate the final paper. We found that: (1) Agent Laboratory driven by o1-preview generates the best research outcomes; (2) The generated machine learning code is able to achieve state-of-the-art performance compared to existing methods; (3) Human involvement, providing feedback at each stage, significantly improves the overall quality of research; (4) Agent Laboratory significantly reduces research expenses, achieving an 84% decrease compared to previous autonomous research methods. We hope Agent Laboratory enables researchers to allocate more effort toward creative ideation rather than low-level coding and writing, ultimately accelerating scientific discovery.

We present AutoResearch-RL, a framework in which a reinforcement learning agent conducts open-ended neural architecture and hyperparameter research without human supervision, running perpetually until a termination oracle signals convergence or resource exhaustion. At each step the agent proposes a code modification to a target training script, executes it under a fixed wall clock time budget, observes a scalar reward derived from validation bits-per-byte (val-bpb), and updates its policy via Proximal Policy Optimisation (PPO). The key design insight is the separation of three concerns: (i) a frozen environment (data pipeline, evaluation protocol, and constants) that guarantees fair cross-experiment comparison; (ii) a mutable target file (train.py) that represents the agent's editable state; and (iii) a meta-learner (the RL agent itself) that accumulates a growing trajectory of experiment outcomes and uses them to inform subsequent proposals. We formalise this as a Markov Decision Process, derive convergence guarantees under mild assumptions, and demonstrate empirically on a single GPU nanochat pretraining benchmark that AutoResearch-RL discovers configurations that match or exceed hand-tuned baselines after approximately 300 overnight iterations, with no human in the loop.

With the advent of large multimodal language models, science is now at a threshold of an AI-based technological transformation. Recently, a plethora of new AI models and tools has been proposed, promising to empower researchers and academics worldwide to conduct their research more effectively and efficiently. This includes all aspects of the research cycle, especially (1) searching for relevant literature; (2) generating research ideas and conducting experimentation; generating (3) text-based and (4) multimodal content (e.g., scientific figures and diagrams); and (5) AI-based automatic peer review. In this survey, we provide an in-depth overview over these exciting recent developments, which promise to fundamentally alter the scientific research process for good. Our survey covers the five aspects outlined above, indicating relevant datasets, methods and results (including evaluation) as well as limitations and scope for future research. Ethical concerns regarding shortcomings of these tools and potential for misuse (fake science, plagiarism, harms to research integrity) take a particularly prominent place in our discussion. We hope that our survey will not only become a reference guide for newcomers to the field but also a catalyst for new AI-based initiatives in the area of "AI4Science".

Artificial Intelligence is moving from models that only generate text to Agentic AI, where systems behave as autonomous entities that can perceive, reason, plan, and act. Large Language Models (LLMs) are no longer used only as passive knowledge engines but as cognitive controllers that combine memory, tool use, and feedback from their environment to pursue extended goals. This shift already supports the automation of complex workflows in software engineering, scientific discovery, and web navigation, yet the variety of emerging designs, from simple single loop agents to hierarchical multi agent systems, makes the landscape hard to navigate. In this paper, we investigate architectures and propose a unified taxonomy that breaks agents into Perception, Brain, Planning, Action, Tool Use, and Collaboration. We use this lens to describe the move from linear reasoning procedures to native inference time reasoning models, and the transition from fixed API calls to open standards like the Model Context Protocol (MCP) and Native Computer Use. We also group the environments in which these agents operate, including digital operating systems, embodied robotics, and other specialized domains, and we review current evaluation practices. Finally, we highlight open challenges, such as hallucination in action, infinite loops, and prompt injection, and outline future research directions toward more robust and reliable autonomous systems.

Automated paper reproduction has emerged as a promising approach to accelerate scientific research, employing multi-step workflow frameworks to systematically convert academic papers into executable code. However, existing frameworks often lack mechanisms to verify and refine the outputs at each generation step, or rely heavily on manually designed prompts for self-refinement, which limits their adaptability and scalability. To address these limitations, we propose a prompt-free collaborative agent framework that automatically enhances the quality of paper-to-code generation. Our approach employs two collaborative agents: a verification agent that examines whether the outputs at each step satisfy the requirements specified in the corresponding system prompt, and a refinement agent that revises the outputs based on the identified issues. Unlike previous methods that require human experts to craft specific refinement prompts for each step, our framework achieves automatic verification and improvement by leveraging only the original system prompts. We integrate our collaborative agents into the Paper2Code framework and conduct comprehensive experiments on PaperBench Code-Dev and Paper2CodeBench datasets. Experimental results demonstrate that our approach significantly improves the accuracy and completeness of reproduced code, achieving performance gains of approximately 15\% and 13\%, respectively, compared to the baseline without our agents. Furthermore, comparative experiments against Self-Refine validate the robustness and consistency of our prompt-free approach across different datasets.

In today's software world with its cornucopia of reusable software libraries, when a programmer is faced with a programming task that they suspect can be completed through the use of a library, they often look for code examples using a search engine and then manually adapt found examples to their specific context of use. We put forward a vision based on a new breed of developer tools that have the potential to largely automate this process. The key idea is to adapt code autocompletion tools such that they take into account not only the developer's already-written code but also the intent of the task the developer is trying to achieve next, formulated in plain natural language. We call this practice of enriching the code with natural language intent to facilitate its completion natural language-guided programming. To show that this idea is feasible we design, implement and benchmark a tool that solves this problem in the context of a specific domain (data science) and a specific programming language (Python). Central to the tool is the use of language models trained on a large corpus of documented code. Our initial experiments confirm the feasibility of the idea but also make it clear that we have only scratched the surface of what may become possible in the future. We end the paper with a comprehensive research agenda to stimulate additional research in the budding area of natural language-guided programming.

Large language models are increasingly deployed as autonomous coding agents and have achieved remarkably strong performance on software engineering benchmarks. However, it is unclear whether such success transfers to computational scientific workflows, where tasks require not only strong coding ability, but also the ability to navigate complex, domain-specific procedures and to interpret results in the context of scientific claims. To address this question, we present AutoMat, a benchmark for evaluating LLM-based agents' ability to reproduce claims from computational materials science. AutoMat poses three interrelated challenges: recovering underspecified computational procedures, navigating specialized toolchains, and determining whether the resulting evidence supports a claim. By working closely with subject matter experts, we curate a set of claims from real materials science papers to test whether coding agents can recover and execute the end-to-end workflow needed to support (or undermine) such claims. We then evaluate multiple representative coding agent settings across several foundation models. Our results show that current LLM-based agents obtain low overall success rates on AutoMat, with the best-performing setting achieving a success rate of only 54.1%. Error analysis further reveals that agents perform worst when workflows must be reconstructed from paper text alone and that they fail primarily due to incomplete procedures, methodological deviations, and execution fragility. Taken together, these findings position AutoMat as both a benchmark for computational scientific reproducibility and a tool for diagnosing the current limitations of agentic systems in AI-for-science settings.

The COVID-19 pandemic has spread globally for several months. Because its transmissibility and high pathogenicity seriously threaten people's lives, it is crucial to accurately and quickly detect COVID-19 infection. Many recent studies have shown that deep learning (DL) based solutions can help detect COVID-19 based on chest CT scans. However, most existing work focuses on 2D datasets, which may result in low quality models as the real CT scans are 3D images. Besides, the reported results span a broad spectrum on different datasets with a relatively unfair comparison. In this paper, we first use three state-of-the-art 3D models (ResNet3D101, DenseNet3D121, and MC3\_18) to establish the baseline performance on the three publicly available chest CT scan datasets. Then we propose a differentiable neural architecture search (DNAS) framework to automatically search for the 3D DL models for 3D chest CT scans classification with the Gumbel Softmax technique to improve the searching efficiency. We further exploit the Class Activation Mapping (CAM) technique on our models to provide the interpretability of the results. The experimental results show that our automatically searched models (CovidNet3D) outperform the baseline human-designed models on the three datasets with tens of times smaller model size and higher accuracy. Furthermore, the results also verify that CAM can be well applied in CovidNet3D for COVID-19 datasets to provide interpretability for medical diagnosis.

With the booming demand for machine learning applications, it has been recognized that the number of knowledgeable data scientists can not scale with the growing data volumes and application needs in our digital world. In response to this demand, several automated machine learning (AutoML) frameworks have been developed to fill the gap of human expertise by automating the process of building machine learning pipelines. Each framework comes with different heuristics-based design decisions. In this study, we present a comprehensive evaluation and comparison of the performance characteristics of six popular AutoML frameworks, namely, AutoWeka, AutoSKlearn, TPOT, Recipe, ATM, and SmartML, across 100 data sets from established AutoML benchmark suites. Our experimental evaluation considers different aspects for its comparison, including the performance impact of several design decisions, including time budget, size of search space, meta-learning, and ensemble construction. The results of our study reveal various interesting insights that can significantly guide and impact the design of AutoML frameworks.

Optical design is the process of configuring optical elements to precisely manipulate light for high-fidelity imaging. It is inherently a highly non-convex optimization problem that relies heavily on human heuristic expertise and domain-specific knowledge. While Large Language Models (LLMs) possess extensive optical knowledge, their capabilities in leveraging the knowledge in designing lens system remain significantly constrained. This work represents the first attempt to employ LLMs in the field of optical design. We bridge the expertise gap by enabling users without formal optical training to successfully develop functional lens systems. Concretely, we curate a comprehensive dataset, named OptiDesignQA, which encompasses both classical lens systems sourced from standard optical textbooks and novel configurations generated by automated design algorithms for training and evaluation. Furthermore, we inject domain-specific optical expertise into the LLM through a hybrid objective of full-system synthesis and lens completion. To align the model with optical principles, we employ Group Relative Policy Optimization Done Right (DrGRPO) guided by Optical Lexicographic Reward for physics-driven policy alignment. This reward system incorporates structural format rewards, physical feasibility rewards, light-manipulation accuracy, and LLM-based heuristics. Finally, our model integrates with specialized optical optimization routines for end-to-end fine-tuning and precision refinement. We benchmark our proposed method against both traditional optimization-based automated design algorithms and LLM counterparts, and experimental results show the superiority of our method.

Numerous studies have assessed the proficiency of AI systems, particularly large language models (LLMs), in facilitating everyday tasks such as email writing, question answering, and creative content generation. However, researchers face unique challenges and opportunities in leveraging LLMs for their own work, such as brainstorming research ideas, designing experiments, and writing or reviewing papers. In this study, we introduce AAAR-1.0, a benchmark dataset designed to evaluate LLM performance in three fundamental, expertise-intensive research tasks: (i) EquationInference, assessing the correctness of equations based on the contextual information in paper submissions; (ii) ExperimentDesign, designing experiments to validate research ideas and solutions; (iii) PaperWeakness, identifying weaknesses in paper submissions; and (iv) REVIEWCRITIQUE, identifying each segment in human reviews is deficient or not. AAAR-1.0 differs from prior benchmarks in two key ways: first, it is explicitly research-oriented, with tasks requiring deep domain expertise; second, it is researcher-oriented, mirroring the primary activities that researchers engage in on a daily basis. An evaluation of both open-source and proprietary LLMs reveals their potential as well as limitations in conducting sophisticated research tasks. We will keep iterating AAAR-1.0 to new versions.

Scientific and engineering progress is fundamentally a long-horizon iterative process: proposing changes, running experiments, measuring outcomes, and continuously refining artifacts. Yet existing benchmarks for frontier models primarily evaluate either single-turn responses or short-horizon agent trajectories, failing to capture the challenges of sustained iterative improvement over extended time horizons. To address this gap, we introduce AutoLab, a new benchmark for ultra long-horizon closed-loop optimization. AutoLab consists of 36 realistic, expert-curated tasks spanning four diverse domains: system optimization, puzzle & challenge, model development, and CUDA kernel optimization. Each task begins with a correct but deliberately suboptimal baseline and challenges agents to improve it within a strict wall-clock budget. Evaluating 17 state-of-the-art models reveals the dominant predictor of success is not the quality of an agent's initial attempt, but its persistence in repeatedly benchmarking, editing, and incorporating empirical feedback. While claude-opus-4.6 exhibits strong long-horizon optimization capabilities, most frontier models, including several proprietary ones, either terminate prematurely or exhaust their budgets with minimal progress. These results underscore the importance of time awareness and persistent iteration in autonomous agents. We open-source the full benchmark, evaluation harness, and task artifacts, to accelerate research toward truly capable long-horizon agents.

Autonomous scientific discovery systems offer the potential to accelerate research by automating the process of hypothesis generation and validation. However, current systems operate within constrained search spaces or require predefined research questions, limiting their capacity for true open-ended inquiry. Furthermore, while they generate hypotheses iteratively, they largely lack the ability to explicitly synthesize their own accumulated findings to uncover complex, interconnected phenomena. We introduce DiscoPER, an autonomous large language model-powered framework that conducts open-ended research by dynamically generating and executing code to explore datasets without pre-specified research objectives. To ensure rigorous scientific validity, every proposed discovery must pass statistical testing. To overcome the limitations of isolated search, our framework introduces a second-order reasoning mechanism that periodically analyzes its own accumulated discoveries. By treating prior discoveries as empirical data, DiscoPER identifies structural patterns, confounds, and epistemic gaps, actively redirecting hypothesis exploration toward uncharted regions of the search space. The search space is further expanded by incorporating tool use, enabling the system to explore hypotheses beyond structured metadata by seamlessly processing and extracting useful information from multimodal sources like images. Evaluated on iNatDisco, a new multimodal ecological knowledge benchmark with pattern-level ground truth obtained from peer-reviewed literature, DiscoPER recovers 8 of 9 known patterns with a 72.7% hypothesis support rate, outperforming both classical causal discovery and LLM-guided baselines. Ablations show that DiscoPER scales with more data, and confirms the benefits of second-order meta-reflection.

Automated Machine Learning (AutoML) approaches encompass traditional methods that optimize fixed pipelines for model selection and ensembling, as well as newer LLM-based frameworks that autonomously build pipelines. While LLM-based agents have shown promise in automating machine learning tasks, they often generate low-diversity and suboptimal code, even after multiple iterations. To overcome these limitations, we introduce Tree-Search Enhanced LLM Agents (SELA), an innovative agent-based system that leverages Monte Carlo Tree Search (MCTS) to optimize the AutoML process. By representing pipeline configurations as trees, our framework enables agents to conduct experiments intelligently and iteratively refine their strategies, facilitating a more effective exploration of the machine learning solution space. This novel approach allows SELA to discover optimal pathways based on experimental feedback, improving the overall quality of the solutions. In an extensive evaluation across 20 machine learning datasets, we compare the performance of traditional and agent-based AutoML methods, demonstrating that SELA achieves a win rate of 65% to 80% against each baseline across all datasets. These results underscore the significant potential of agent-based strategies in AutoML, offering a fresh perspective on tackling complex machine learning challenges.

Progress in scientific discovery is rarely the result of a single "Eureka" moment, but is rather the product of hundreds of scientists incrementally working together toward a common goal. While existing agent workflows are capable of producing research autonomously, they do so in isolation, without the ability to continuously improve upon prior research results. To address these challenges, we introduce AgentRxiv-a framework that lets LLM agent laboratories upload and retrieve reports from a shared preprint server in order to collaborate, share insights, and iteratively build on each other's research. We task agent laboratories to develop new reasoning and prompting techniques and find that agents with access to their prior research achieve higher performance improvements compared to agents operating in isolation (11.4% relative improvement over baseline on MATH-500). We find that the best performing strategy generalizes to benchmarks in other domains (improving on average by 3.3%). Multiple agent laboratories sharing research through AgentRxiv are able to work together towards a common goal, progressing more rapidly than isolated laboratories, achieving higher overall accuracy (13.7% relative improvement over baseline on MATH-500). These findings suggest that autonomous agents may play a role in designing future AI systems alongside humans. We hope that AgentRxiv allows agents to collaborate toward research goals and enables researchers to accelerate discovery.

The process of creating training data to teach models is currently driven by humans, who manually analyze model weaknesses and plan how to create data that improves a student model. Recent approaches using LLMs as annotators reduce human effort, but still require humans to interpret feedback from evaluations and control the LLM to produce data the student needs. Automating this labor-intensive process by creating autonomous data generation agents - or teachers - is desirable, but requires environments that can simulate the feedback-driven, iterative, closed loop of data creation. To enable rapid and scalable testing for such agents and their modules, we introduce DataEnvGym, a testbed of teacher environments for data generation agents. DataEnvGym frames data generation as a sequential decision-making task, involving an agent consisting of a data generation policy (which generates a plan for creating training data) and a data generation engine (which transforms the plan into data), inside an environment that provides student feedback. The agent's goal is to improve student performance. Students are iteratively trained and evaluated on generated data, with their feedback (in the form of errors or weak skills) being reported to the agent after each iteration. DataEnvGym includes multiple teacher environment instantiations across 3 levels of structure in the state representation and action space. More structured environments are based on inferred skills and offer more interpretability and curriculum control. We support 3 diverse tasks (math, code, and VQA) and test multiple students and teachers. Example agents in our teaching environments can iteratively improve students across tasks and settings. Moreover, we show that environments teach different skill levels and test variants of key modules, pointing to future work in improving data generation agents, engines, and feedback mechanisms.

Recent automated research systems show that language-model agents can generate hypotheses, run experiments, and write complete manuscripts, but most evidence still comes from selected examples, human-framed topics, or a few pre-defined research tasks. We present FARS (Fully Automated Research System), a fully automated AI-for-AI research system designed to operate across research topics at scale. FARS autonomously generates and advances projects through ideation, planning, experimentation, and writing, using stage-specific agents coordinated through a shared workspace that records proposals, code, logs, results, and manuscripts. In its first public deployment, FARS produced 166 complete research papers spanning 67 fine-grained AI/ML topics while preserving intermediate artifacts as an auditable corpus rather than a curated set of successes. We evaluate this corpus with 282 structured reviews from volunteer reviewers covering 140 papers, including overall ratings, sub-scores, integrity checks, and LLM-use disclosure. The reviews indicate that FARS can produce review-worthy and occasionally strong AI/ML research artifacts in a large-scale public deployment, while also exposing recurring failure modes in narrow experimental scope, methodological limitations, and integrity issues.

Traditional scientific discovery relies on an iterative hypothesise-experiment-refine cycle that has driven progress for centuries, but its intuitive, ad-hoc implementation often wastes resources, yields inefficient designs, and misses critical insights. This tutorial presents Bayesian Optimisation (BO), a principled probability-driven framework that formalises and automates this core scientific cycle. BO uses surrogate models (e.g., Gaussian processes) to model empirical observations as evolving hypotheses, and acquisition functions to guide experiment selection, balancing exploitation of known knowledge and exploration of uncharted domains to eliminate guesswork and manual trial-and-error. We first frame scientific discovery as an optimisation problem, then unpack BO's core components, end-to-end workflows, and real-world efficacy via case studies in catalysis, materials science, organic synthesis, and molecule discovery. We also cover critical technical extensions for scientific applications, including batched experimentation, heteroscedasticity, contextual optimisation, and human-in-the-loop integration. Tailored for a broad audience, this tutorial bridges AI advances in BO with practical natural science applications, offering tiered content to empower cross-disciplinary researchers to design more efficient experiments and accelerate principled scientific discovery.

AI agents powered by large language models exhibit strong reasoning and problem-solving capabilities, enabling them to assist scientific research tasks such as formula derivation and code generation. However, whether these agents can reliably perform end-to-end reproduction from real scientific papers remains an open question. We introduce PRBench, a benchmark of 30 expert-curated tasks spanning 11 subfields of physics. Each task requires an agent to comprehend the methodology of a published paper, implement the corresponding algorithms from scratch, and produce quantitative results matching the original publication. Agents are provided only with the task instruction and paper content, and operate in a sandboxed execution environment. All tasks are contributed by domain experts from over 20 research groups at the School of Physics, Peking University, each grounded in a real published paper and validated through end-to-end reproduction with verified ground-truth results and detailed scoring rubrics. Using an agentified assessment pipeline, we evaluate a set of coding agents on PRBench and analyze their capabilities across key dimensions of scientific reasoning and execution. The best-performing agent, OpenAI Codex powered by GPT-5.3-Codex, achieves a mean overall score of 34%. All agents exhibit a zero end-to-end callback success rate, with particularly poor performance in data accuracy and code correctness. We further identify systematic failure modes, including errors in formula implementation, inability to debug numerical simulations, and fabrication of output data. Overall, PRBench provides a rigorous benchmark for evaluating progress toward autonomous scientific research.

The advancements of language language models (LLMs) have piqued growing interest in developing LLM-based language agents to automate scientific discovery end-to-end, which has sparked both excitement and skepticism about the true capabilities of such agents. In this work, we argue that for an agent to fully automate scientific discovery, it must be able to complete all essential tasks in the workflow. Thus, we call for rigorous assessment of agents on individual tasks in a scientific workflow before making bold claims on end-to-end automation. To this end, we present ScienceAgentBench, a new benchmark for evaluating language agents for data-driven scientific discovery. To ensure the scientific authenticity and real-world relevance of our benchmark, we extract 102 tasks from 44 peer-reviewed publications in four disciplines and engage nine subject matter experts to validate them. We unify the target output for every task to a self-contained Python program file and employ an array of evaluation metrics to examine the generated programs, execution results, and costs. Each task goes through multiple rounds of manual validation by annotators and subject matter experts to ensure its annotation quality and scientific plausibility. We also propose two effective strategies to mitigate data contamination concerns. Using our benchmark, we evaluate five open-weight and proprietary LLMs, each with three frameworks: direct prompting, OpenHands, and self-debug. Given three attempts for each task, the best-performing agent can only solve 32.4% of the tasks independently and 34.3% with expert-provided knowledge. These results underscore the limited capacities of current language agents in generating code for data-driven discovery, let alone end-to-end automation for scientific research.

Designing Verilog modules requires meticulous attention to correctness, efficiency, and adherence to design specifications. However, manually writing Verilog code remains a complex and time-consuming task that demands both expert knowledge and iterative refinement. Leveraging recent advancements in large language models (LLMs) and their structured text generation capabilities, we propose VeriMind, an agentic LLM framework for Verilog code generation that significantly automates and optimizes the synthesis process. Unlike traditional LLM-based code generators, VeriMind employs a structured reasoning approach: given a user-provided prompt describing design requirements, the system first formulates a detailed train of thought before the final Verilog code is generated. This multi-step methodology enhances interpretability, accuracy, and adaptability in hardware design. In addition, we introduce a novel evaluation metric-pass@ARC-which combines the conventional pass@k measure with Average Refinement Cycles (ARC) to capture both success rate and the efficiency of iterative refinement. Experimental results on diverse hardware design tasks demonstrated that our approach achieved up to 8.3% improvement on pass@k metric and 8.1% on pass@ARC metric. These findings underscore the transformative potential of agentic LLMs in automated hardware design, RTL development, and digital system synthesis.

In recent years, AI-assisted IC design methods have demonstrated great potential, but the availability of circuit design data is extremely limited, especially in the public domain. The lack of circuit data has become the primary bottleneck in developing AI-assisted IC design methods. In this work, we make the first attempt, SynCircuit, to generate new synthetic circuits with valid functionalities in the HDL format. SynCircuit automatically generates synthetic data using a framework with three innovative steps: 1) We propose a customized diffusion-based generative model to resolve the Directed Cyclic Graph (DCG) generation task, which has not been well explored in the AI community. 2) To ensure our circuit is valid, we enforce the circuit constraints by refining the initial graph generation outputs. 3) The Monte Carlo tree search (MCTS) method further optimizes the logic redundancy in the generated graph. Experimental results demonstrate that our proposed SynCircuit can generate more realistic synthetic circuits and enhance ML model performance in downstream circuit design tasks.

This article explores deep learning models for the automatic identification of registers - text varieties such as news reports and discussion forums - in web-based datasets across 16 languages. Identifying web registers, or genres, is crucial for understanding the content of web-scale datasets, which have become essential in corpus and computational linguistics. Despite recent advances, the full potential of register classifiers in the noisy, unrestricted web remains largely unexplored, particularly in multilingual settings. We experiment with various deep learning models using the Multilingual CORE corpora, newly introduced in this article, which includes 16 languages annotated with a detailed, hierarchical taxonomy of 25 registers designed to cover the entire web. Our classifiers achieve state-of-the-art results using a multi-label approach, demonstrating that competitive performance is possible using a relatively complex register taxonomy. However, all models hit a performance ceiling at approximately 80% F1 score, which we attribute to the non-discrete nature of web registers and the inherent uncertainty in labeling some documents. By pruning ambiguous examples, we enhance model performance to over 90%. Additionally, multilingual models consistently outperform monolingual ones, especially benefiting languages with fewer training examples and smaller registers. Although a zero-shot setting reduces performance by an average of 7%, these drops are not correlated with specific registers or languages. Instead, we find that registers are surprisingly similar across languages.

Computer-aided design (CAD) is the digital construction of 2D and 3D objects, and is central to a wide range of engineering and manufacturing applications like automobile and aviation. Despite its importance, CAD modeling remains largely a time-intensive, manual task. Recent works have attempted to automate this process with small transformer-based models and handcrafted CAD sequence representations. However, there has been little effort to leverage the potential of large language models (LLMs) for sequential CAD design. In this work, we introduce a new large-scale dataset of more than 170k CAD models annotated with high-quality, human-like descriptions generated with our pipeline based on GPT-4.1. Using this dataset, we fine-tune powerful code-LLMs to generate CAD sequences represented in a JSON-based format from natural language descriptions, demonstrating the viability and effectiveness of this approach for text-conditioned CAD generation. Because simple metrics often fail to reflect the quality of generated objects, we introduce geometric and topological metrics based on sphericity, mean curvature, and Euler characteristic to provide richer structural insights. Our experiments and ablation studies on both synthetic and human-annotated data demonstrate that CADmium is able to automate CAD design, drastically speeding up the design of new objects. The dataset, code, and fine-tuned models are available online.

This report describes ARIS (Auto-Research-in-sleep), an open-source research harness for autonomous research, including its architecture, assurance mechanisms, and early deployment experience. The performance of agent systems built on LLMs depends on both the model weights and the harness around them, which governs what information to store, retrieve, and present to the model. For long-horizon research workflows, the central failure mode is not a visible breakdown but a plausible unsupported success: a long-running agent can produce claims whose evidential support is incomplete, misreported, or silently inherited from the executor's framing. Therefore, we present ARIS as a research harness that coordinates machine-learning research workflows through cross-model adversarial collaboration as a default configuration: an executor model drives forward progress while a reviewer from a different model family is recommended to critique intermediate artifacts and request revisions. ARIS has three architectural layers. The execution layer provides more than 65 reusable Markdown-defined skills, model integrations via MCP, a persistent research wiki for iterative reuse of prior findings, and deterministic figure generation. The orchestration layer coordinates five end-to-end workflows with adjustable effort settings and configurable routing to reviewer models. The assurance layer includes a three-stage process for checking whether experimental claims are supported by evidence: integrity verification, result-to-claim mapping, and claim auditing that cross-checks manuscript statements against the claim ledger and raw evidence, as well as a five-pass scientific-editing pipeline, mathematical-proof checks, and visual inspection of the rendered PDF. A prototype self-improvement loop records research traces and proposes harness improvements that are adopted only after reviewer approval.

Scientific innovation is undergoing a paradigm shift driven by the rapid advancement of Large Language Models (LLMs). As science faces mounting challenges including information overload, disciplinary silos, and diminishing returns on conventional research methods, LLMs are emerging as powerful agents capable not only of enhancing scientific workflows but also of participating in and potentially leading the innovation process. Existing surveys mainly focus on different perspectives, phrases, and tasks in scientific research and discovery, while they have limitations in understanding the transformative potential and role differentiation of LLM. This survey proposes a comprehensive framework to categorize the evolving roles of LLMs in scientific innovation across three hierarchical levels: Evaluator, Collaborator, and Scientist. We distinguish between LLMs' contributions to structured scientific research processes and open-ended scientific discovery, thereby offering a unified taxonomy that clarifies capability boundaries, evaluation criteria, and human-AI interaction patterns at each level. Through an extensive analysis of current methodologies, benchmarks, systems, and evaluation metrics, this survey delivers an in-depth and systematic synthesis on LLM-driven scientific innovation. We present LLMs not only as tools for automating existing processes, but also as catalysts capable of reshaping the epistemological foundations of science itself. This survey offers conceptual clarity, practical guidance, and theoretical foundations for future research, while also highlighting open challenges and ethical considerations in the pursuit of increasingly autonomous AI-driven science. Resources related to this survey can be accessed on GitHub at: https://github.com/haoxuan-unt2024/llm4innovation.

Automating scientific discovery in complex, experiment-driven domains requires more than iterative mutation of programs; it demands structured hypothesis management, environment interaction, and principled reflection. We present OR-Agent, a configurable multi-agent research framework designed for automated exploration in rich experimental environments. OR-Agent organizes research as a structured tree-based workflow that explicitly models branching hypothesis generation and systematic backtracking, enabling controlled management of research trajectories beyond simple mutation-crossover loops. At its core, we introduce an evolutionary-systematic ideation mechanism that unifies evolutionary selection of research starting points, comprehensive research plan generation, and coordinated exploration within a research tree. We introduce a hierarchical optimization-inspired reflection system in which short-term reflections act as verbal gradients, long-term reflections as verbal momentum, and memory compression as semantic weight decay, collectively forming a principled mechanism for governing research dynamics. We conduct extensive experiments across classical combinatorial optimization benchmarks as well as simulation-based cooperative driving scenarios. Results demonstrate that OR-Agent outperforms strong evolutionary baselines while providing a general, extensible, and inspectable framework for AI-assisted scientific discovery. All code and experimental data are publicly available at https://github.com/qiliuchn/OR-Agent.

We introduce ResearchGym, a benchmark and execution environment for evaluating AI agents on end-to-end research. To instantiate this, we repurpose five oral and spotlight papers from ICML, ICLR, and ACL. From each paper's repository, we preserve the datasets, evaluation harness, and baseline implementations but withhold the paper's proposed method. This results in five containerized task environments comprising 39 sub-tasks in total. Within each environment, agents must propose novel hypotheses, run experiments, and attempt to surpass strong human baselines on the paper's metrics. In a controlled evaluation of an agent powered by GPT-5, we observe a sharp capability--reliability gap. The agent improves over the provided baselines from the repository in just 1 of 15 evaluations (6.7%) by 11.5%, and completes only 26.5% of sub-tasks on average. We identify recurring long-horizon failure modes, including impatience, poor time and resource management, overconfidence in weak hypotheses, difficulty coordinating parallel experiments, and hard limits from context length. Yet in a single run, the agent surpasses the solution of an ICML 2025 Spotlight task, indicating that frontier agents can occasionally reach state-of-the-art performance, but do so unreliably. We additionally evaluate proprietary agent scaffolds including Claude Code (Opus-4.5) and Codex (GPT-5.2) which display a similar gap. ResearchGym provides infrastructure for systematic evaluation and analysis of autonomous agents on closed-loop research.

Automated machine learning (AutoML) accelerates AI development by automating tasks in the development pipeline, such as optimal model search and hyperparameter tuning. Existing AutoML systems often require technical expertise to set up complex tools, which is in general time-consuming and requires a large amount of human effort. Therefore, recent works have started exploiting large language models (LLM) to lessen such burden and increase the usability of AutoML frameworks via a natural language interface, allowing non-expert users to build their data-driven solutions. These methods, however, are usually designed only for a particular process in the AI development pipeline and do not efficiently use the inherent capacity of the LLMs. This paper proposes AutoML-Agent, a novel multi-agent framework tailored for full-pipeline AutoML, i.e., from data retrieval to model deployment. AutoML-Agent takes user's task descriptions, facilitates collaboration between specialized LLM agents, and delivers deployment-ready models. Unlike existing work, instead of devising a single plan, we introduce a retrieval-augmented planning strategy to enhance exploration to search for more optimal plans. We also decompose each plan into sub-tasks (e.g., data preprocessing and neural network design) each of which is solved by a specialized agent we build via prompting executing in parallel, making the search process more efficient. Moreover, we propose a multi-stage verification to verify executed results and guide the code generation LLM in implementing successful solutions. Extensive experiments on seven downstream tasks using fourteen datasets show that AutoML-Agent achieves a higher success rate in automating the full AutoML process, yielding systems with good performance throughout the diverse domains.

Scientific laboratories increasingly rely on AI systems to reason about experiments, but the physical act of doing science remains largely outside their reach. AI can help read literature, generate hypotheses, and plan protocols, yet the execution of those protocols at the bench still requires a human operator. Vision-Language-Action (VLA) models provide one possible interface between written protocols and robot execution, but existing policies are trained mostly on household and tabletop demonstrations and rarely encounter the instruments, transparent liquids, or fixed protocol workflows found in scientific laboratories. Closing this gap requires both laboratory-specific supervision and a unified learning framework that can accommodate the diverse robot embodiments used to execute experimental protocols. We therefore identify data and embodiment as central bottlenecks alongside model design. To address the data side, we build RoboGenesis, a simulation-based workflow and data engine that composes configured laboratory workflows from atomic skills, validates and filters rollouts, and exports structured demonstrations across supported robot profiles. On the policy side, we present LabVLA, trained with a two-stage recipe: FAST action token pretraining first makes the Qwen3-VL-4B-Instruct backbone action aware before any continuous control is learned, and flow matching posttraining then attaches a DiT action expert under knowledge insulation. On the LabUtopia benchmark, LabVLA achieves the highest average success rate among all evaluated baselines under both in-distribution and out-of-distribution settings.

Autonomous systems that generate scientific hypotheses, conduct experiments, and draft manuscripts have recently emerged as a promising paradigm for accelerating discovery. However, existing AI Scientists remain largely domain-agnostic, limiting their applicability to clinical medicine, where research is required to be grounded in medical evidence with specialized data modalities. In this work, we introduce Medical AI Scientist, the first autonomous research framework tailored to clinical autonomous research. It enables clinically grounded ideation by transforming extensively surveyed literature into actionable evidence through clinician-engineer co-reasoning mechanism, which improves the traceability of generated research ideas. It further facilitates evidence-grounded manuscript drafting guided by structured medical compositional conventions and ethical policies. The framework operates under 3 research modes, namely paper-based reproduction, literature-inspired innovation, and task-driven exploration, each corresponding to a distinct level of automated scientific inquiry with progressively increasing autonomy. Comprehensive evaluations by both large language models and human experts demonstrate that the ideas generated by the Medical AI Scientist are of substantially higher quality than those produced by commercial LLMs across 171 cases, 19 clinical tasks, and 6 data modalities. Meanwhile, our system achieves strong alignment between the proposed method and its implementation, while also demonstrating significantly higher success rates in executable experiments. Double-blind evaluations by human experts and the Stanford Agentic Reviewer suggest that the generated manuscripts approach MICCAI-level quality, while consistently surpassing those from ISBI and BIBM. The proposed Medical AI Scientist highlights the potential of leveraging AI for autonomous scientific discovery in healthcare.

Reproducibility is central to research credibility, yet large-scale reanalysis of empricial data remains costly because replication packages vary widely in structure, software environment, and documentation. We develop and evaluate an agentic AI workflow that addresses this execution bottleneck while preserving scientific rigor. The system separates scientific reasoning from computational execution: researchers design fixed diagnostic templates, and the workflow automates the acquisition, harmonization, and execution of replication materials using pre-specified, version-controlled code. A structured knowledge layer records resolved failure patterns, enabling adaptation across heterogeneous studies while keeping each pipeline version transparent and stable. We evaluate this workflow on 92 instrumental variable (IV) studies, including 67 with manually verified reproducible 2SLS estimates and 25 newly published IV studies under identical criteria. For each paper, we analyze up to three two-stage least squares (2SLS) specifications, totaling 215. Across the 92 papers, the system achieves 87% end-to-end success overall. Conditional on accessible data and code, reproducibility is 100% at both the paper and specification levels. The framework substantially lowers the cost of executing established empirical protocols and can be adapted in empirical settings where analytic templates and norms of transparency are well established.

Recent auto-research systems can produce complete papers, but feasibility is not the same as quality, and the field still lacks a systematic study of how good agent-generated papers actually are. We introduce ResearchArena, a minimal scaffold that lets off-the-shelf agents (Claude Code using Opus 4.6, Codex using GPT-5.4, and Kimi Code using K2.5) carry out the full research loop themselves (ideation, experimentation, paper writing, self-refinement) under only lightweight guidance. Across 13 computer science seeds and 3 trials per agent-domain pair, ResearchArena yields 117 agent-generated papers, each evaluated under three complementary lenses: a manuscript-only reviewer (SAR), an artifact-aware peer review (PR) in which agents inspect the workspace alongside the manuscript, and an human conducted meta-review. Under SAR alone the picture is optimistic: Claude Code obtains the highest score, outperforms Analemma's FARS, and matches the weighted-average human ICLR 2025 submission, suggesting that minimally scaffolded agents can produce papers that look competitive on manuscript-only review. Manual inspection, however, reveals this picture is overstated: SAR scores are poorly aligned with its actual acceptance decisions and reward plausible framing without verifying experimental substance. Under artifact-aware PR scores drop sharply, and manual auditing identifies experimental rigor as the major bottleneck, decomposing into three failure modes (fabricated results, underpowered experiments, and plan/execution mismatch) that are highly agent-dependent: Codex 5%/8% paper-vs-artifact mismatch / fabricated references versus Kimi Code 77%/72%, a sim15times spread that tracks distinct research personas the agents develop. None of the 117 agent-generated papers reaches the acceptance bar of a top-tier venue. This suggests that we are still gapped from the true auto-research.

Autonomous machine learning agents have revolutionized scientific discovery, yet they remain constrained by a Generate-Execute-Feedback paradigm. Previous approaches suffer from a severe Execution Bottleneck, as hypothesis evaluation relies strictly on expensive physical execution. To bypass these physical constraints, we internalize execution priors to substitute costly runtime checks with instantaneous predictive reasoning, drawing inspiration from World Models. In this work, we formalize the task of Data-centric Solution Preference and construct a comprehensive corpus of 18,438 pairwise comparisons. We demonstrate that LLMs exhibit significant predictive capabilities when primed with a Verified Data Analysis Report, achieving 61.5% accuracy and robust confidence calibration. Finally, we instantiate this framework in FOREAGENT, an agent that employs a Predict-then-Verify loop, achieving a 6x acceleration in convergence while surpassing execution-based baselines by +6%. Our code and dataset will be publicly available soon at https://github.com/zjunlp/predict-before-execute.

Scientific discovery is poised for rapid advancement through advanced robotics and artificial intelligence. Current scientific practices face substantial limitations as manual experimentation remains time-consuming and resource-intensive, while multidisciplinary research demands knowledge integration beyond individual researchers' expertise boundaries. Here, we envision an autonomous generalist scientist (AGS) concept combines agentic AI and embodied robotics to automate the entire research lifecycle. This system could dynamically interact with both physical and virtual environments while facilitating the integration of knowledge across diverse scientific disciplines. By deploying these technologies throughout every research stage -- spanning literature review, hypothesis generation, experimentation, and manuscript writing -- and incorporating internal reflection alongside external feedback, this system aims to significantly reduce the time and resources needed for scientific discovery. Building on the evolution from virtual AI scientists to versatile generalist AI-based robot scientists, AGS promises groundbreaking potential. As these autonomous systems become increasingly integrated into the research process, we hypothesize that scientific discovery might adhere to new scaling laws, potentially shaped by the number and capabilities of these autonomous systems, offering novel perspectives on how knowledge is generated and evolves. The adaptability of embodied robots to extreme environments, paired with the flywheel effect of accumulating scientific knowledge, holds the promise of continually pushing beyond both physical and intellectual frontiers.

Autonomous scientific discovery with large language model (LLM)-based agents has recently made substantial progress, demonstrating the ability to automate end-to-end research workflows. However, existing systems largely rely on runtime-centric execution paradigms, repeatedly reading, summarizing, and reasoning over large volumes of scientific literature online. This on-the-spot computation strategy incurs high computational cost, suffers from context window limitations, and often leads to brittle reasoning and hallucination. We propose Idea2Story, a pre-computation-driven framework for autonomous scientific discovery that shifts literature understanding from online reasoning to offline knowledge construction. Idea2Story continuously collects peer-reviewed papers together with their review feedback, extracts core methodological units, composes reusable research patterns, and organizes them into a structured methodological knowledge graph. At runtime, underspecified user research intents are aligned to established research paradigms, enabling efficient retrieval and reuse of high-quality research patterns instead of open-ended generation and trial-and-error. By grounding research planning and execution in a pre-built knowledge graph, Idea2Story alleviates the context window bottleneck of LLMs and substantially reduces repeated runtime reasoning over literature. We conduct qualitative analyses and preliminary empirical studies demonstrating that Idea2Story can generate coherent, methodologically grounded, and novel research patterns, and can produce several high-quality research demonstrations in an end-to-end setting. These results suggest that offline knowledge construction provides a practical and scalable foundation for reliable autonomous scientific discovery.

Recent advancements in artificial intelligence (AI), particularly in large language models (LLMs) such as OpenAI-o1 and DeepSeek-R1, have demonstrated remarkable capabilities in complex domains such as logical reasoning and experimental coding. Motivated by these advancements, numerous studies have explored the application of AI in the innovation process, particularly in the context of scientific research. These AI technologies primarily aim to develop systems that can autonomously conduct research processes across a wide range of scientific disciplines. Despite these significant strides, a comprehensive survey on AI for Research (AI4Research) remains absent, which hampers our understanding and impedes further development in this field. To address this gap, we present a comprehensive survey and offer a unified perspective on AI4Research. Specifically, the main contributions of our work are as follows: (1) Systematic taxonomy: We first introduce a systematic taxonomy to classify five mainstream tasks in AI4Research. (2) New frontiers: Then, we identify key research gaps and highlight promising future directions, focusing on the rigor and scalability of automated experiments, as well as the societal impact. (3) Abundant applications and resources: Finally, we compile a wealth of resources, including relevant multidisciplinary applications, data corpora, and tools. We hope our work will provide the research community with quick access to these resources and stimulate innovative breakthroughs in AI4Research.

ResearchPilot is an open-source, self-hostable multi-agent system for literature-review assistance. Given a natural-language research question, it retrieves papers from Semantic Scholar and arXiv, extracts structured findings from paper abstracts, synthesizes cross-paper patterns, and drafts a citation-aware related-work section. The system combines FastAPI, Next.js, DSPy, SQLite, and Qdrant in a local-first architecture that supports bring-your-own-key model access and remote-or-local embeddings. This paper describes the system design, typed agent interfaces, persistence and history-search mechanisms, and the engineering tradeoffs involved in building a transparent research assistant. Rather than claiming algorithmic novelty, we present ResearchPilot as a systems contribution and evaluate it through automated tests and end-to-end local runs. We discuss limitations including external API rate limits, abstract-only extraction, incomplete corpus coverage, and the lack of citation verification.

Scientific discovery workflows usually contain and rely heavily on lab notes, where researchers record observations, interpret uncertain results, and plan follow-up experiments. Such informative lab notes preserve evolving scientific reasoning and author uncertainty, rather than polished final results exhibited in publications, providing a valuable opportunity for AI to engage in scientific exploration at a more comprehensive and deeper level. However, most prior work on scientific text focuses on papers, protocols, or structured databases, leaving informal laboratory notes underexplored as inputs to AI agents for science. This gap matters because lab notes often intermingle validated observations, tentative judgments, and possible experimental next steps within the same passage. If these signals are conflated, an AI agent may mistake uncertain scientific judgments for confirmed conclusions or executable actions. To this end, we present Notes2Skills, a two-stage framework for turning lab notebooks into verifiable skills for scientific AI agents while preserving the author's certainty. Across seven conditions and three wet-lab sessions, Notes2Skills is the only configuration that neither mistakes uncertain notes for firm instructions nor discards firm ones. We show that certainty preservation is the missing piece between lab notebooks and reliable agent skills, opening a path toward safer AI co-scientist systems.

AI agents are increasingly transacting on behalf of users -- delegating tasks, spending budgets, and negotiating with unfamiliar counterparties. Unlike human marketplaces, which operate under institutional designs refined over centuries, the rules governing emerging agent marketplaces are being built ad-hoc, and early choices tend to lock in. Understanding what dynamics these rules produce is urgent. We present diagon, a programmable market system serving as a rule-agnostic experimental testbed for institutional design in emerging agent cognitive-labour markets. diagon makes institutional choices experimentally manipulable: heterogeneous tool-using agents post jobs, bid, negotiate, execute, pay, and accumulate reputation, with every mechanism end-to-end observable. We instantiate one market form to demonstrate diagon. We find that market exchange generates more productivity gains over self-sufficient agents, but these gains depend strongly on institutional structure; for example, interventions such as identity transparency and stronger competitive selection can degrade market performance rather than improve it. These findings highlight concrete design requirements for the economic infrastructure of the agent era. Code and data are available at https://github.com/assassin808/diagon.

AI tools and agents are reshaping how researchers work, from proving theorems to training neural networks. Yet for many, it remains unclear how these tools fit into everyday research practice. This paper is a practical guide to AI-assisted research in mathematics and machine learning: We discuss how researchers can use modern AI systems productively, where these systems help most, and what kinds of guardrails are needed to use them responsibly. It is organized into three parts: (I) a five-level taxonomy of AI integration, (II) an open-source framework that, through a set of methodological rules formulated as agent prompts, turns CLI coding agents (e.g., Claude Code, Codex CLI, OpenCode) into autonomous research assistants, and (III) case studies from deep learning and mathematics. The framework runs inside a sandboxed container, works with any frontier LLM through existing CLI agents, is simple enough to install and use within minutes, and scales from personal-laptop prototyping to multi-node, multi-GPU experimentation across compute clusters. In practice, our longest autonomous session ran for over 20 hours, dispatching independent experiments across multiple nodes without human intervention. We stress that our framework is not intended to replace the researcher in the loop, but to augment them. Our code is publicly available at https://github.com/ZIB-IOL/The-Agentic-Researcher.

Modern optimization in experimental chemistry employs algorithmic search through black-box parameter spaces. Here we demonstrate that pre-trained knowledge in large language models (LLMs) fundamentally changes this paradigm. Using six fully enumerated categorical reaction datasets (768 - 5,684 experiments), we benchmark LLM-guided optimization (LLM-GO) against Bayesian optimization (BO) and random sampling. Frontier LLMs consistently match or exceed BO performance across five single-objective datasets, with advantages growing as parameter complexity increases and high-performing conditions become scarce (<5% of space). BO retains superiority only for explicit multi-objective trade-offs. To understand these contrasting behaviors, we introduce a topology-agnostic information theory framework quantifying sampling diversity throughout optimization campaigns. This analysis reveals that LLMs maintain systematically higher exploration entropy than BO across all datasets while achieving superior performance, with advantages most pronounced in solution-scarce parameter spaces where high-entropy exploration typically fails - suggesting that pre-trained domain knowledge enables more effective navigation of chemical parameter space rather than replacing structured exploration strategies. To enable transparent benchmarking and community validation, we release Iron Mind (https://gomes.andrew.cmu.edu/iron-mind), a no-code platform for side-by-side evaluation of human, algorithmic, and LLM optimization campaigns with public leaderboards and complete trajectories. Our findings establish that LLM-GO excels precisely where traditional methods struggle: complex categorical spaces requiring domain understanding rather than mathematical optimization.